M1U

(1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol

Created:	2022-07-21
Last modified:	2023-08-16

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1 entries where M1U is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	3
Bond Count	29
Aromatic Bond Count	0

2D diagram of M1U

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Chemical Component Summary
Name	(1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{S},4~{R})-2-chloranyl-1-methyl-4-prop-1-en-2-yl-cyclohexan-1-ol
Formula	C₁₀ H₁₇ Cl O
Molecular Weight	188.694
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(=C)[CH]1CC[C](C)(O)[CH](Cl)C1
SMILES	OpenEye OEToolkits	2.0.7	CC(=C)C1CCC(C(C1)Cl)(C)O
Canonical SMILES	CACTVS	3.385	CC(=C)[C@@H]1CC[C@](C)(O)[C@@H](Cl)C1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=C)[C@@H]1CC[C@]([C@H](C1)Cl)(C)O
InChI	InChI	1.06	InChI=1S/C10H17ClO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,12H,1,4-6H2,2-3H3/t8-,9+,10+/m1/s1
InChIKey	InChI	1.06	DOPWCACTFDDQSY-UTLUCORTSA-N

Related Resource References

Resource Name	Reference
PubChem	91376785

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