6BW

(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene

Created:	2016-03-04
Last modified:	2016-10-05

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1 entries where 6BW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	3
Bond Count	40
Aromatic Bond Count	0

2D diagram of 6BW

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Chemical Component Summary
Name	(2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene
Systematic Name (OpenEye OEToolkits)	(3~{R},5~{S},6~{R})-6,10-dimethyl-3-prop-1-en-2-yl-spiro[4.5]dec-9-ene
Formula	C₁₅ H₂₄
Molecular Weight	204.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1C=C(C)C2(C(C1)C)CC(\C(=C)C)CC2
SMILES	CACTVS	3.385	C[CH]1CCC=C(C)[C]12CC[CH](C2)C(C)=C
SMILES	OpenEye OEToolkits	2.0.4	CC1CCC=C(C12CCC(C2)C(=C)C)C
Canonical SMILES	CACTVS	3.385	C[C@@H]1CCC=C(C)[C@]12CC[C@H](C2)C(C)=C
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C
InChI	InChI	1.03	InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
InChIKey	InChI	1.03	WEZDOYDDKIHCLM-RBSFLKMASA-N

Related Resource References

Resource Name	Reference
PubChem	14355861
ChEBI	CHEBI:46971

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