(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol

C7H11ClO — CID 58637363

IUPAC(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
SMILESC[C@H]1CCC=C(Cl)[C@H]1O
InChIInChI=1S/C7H11ClO/c1-5-3-2-4-6(8)7(5)9/h4-5,7,9H,2-3H2,1H3/t5-,7-/m0/s1
InChIKeyRNIFOAXMZWTBAZ-FSPLSTOPSA-N
MW146.62 g/mol
LogP1.90
Rot. Bonds

About (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol

(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol (PubChem CID 58637363) has the molecular formula C7H11ClO and a molecular weight of 146.62 g/mol. Its IUPAC name is (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
PubChem CID58637363
Molecular FormulaC7H11ClO
Molecular Weight146.62 g/mol
Exact Mass146.05
IUPAC Name(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
SMILESC[C@H]1CCC=C(Cl)[C@H]1O
InChIInChI=1S/C7H11ClO/c1-5-3-2-4-6(8)7(5)9/h4-5,7,9H,2-3H2,1H3/t5-,7-/m0/s1
InChIKeyRNIFOAXMZWTBAZ-FSPLSTOPSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chlorocyclohex-3-ene-1,2-diol
CID 67478203
(1S,2S)-3-chlorocyclohex-3-ene-1,2-diol
CID 67478154
2-chloro-6-methylcyclohex-2-en-1-amine
CID 143703375
1-chloro-6-methylcyclohexene
CID 565192
5-methylbicyclo[4.2.1]non-1-en-7-ol
CID 163789107
(4Z)-4,8-dimethylcyclooct-4-ene-1,2-diol
CID 23092826
6-chloro-1-fluoro-5-methylcyclohexene
CID 90876325
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
1,2,3,5,6,7-hexahydronaphthalene-1,5-diol
CID 130126715
5-methylbicyclo[4.1.0]hept-1-ene
CID 123971358
5-methylcyclooct-5-ene-1,2-diol
CID 68741308
1-chloro-5,6-diethylcyclohexene
CID 148572658

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol?
The IUPAC name of (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol (CID 58637363) is (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol is C[C@H]1CCC=C(Cl)[C@H]1O.
What is the InChIKey of (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol?
The InChIKey is RNIFOAXMZWTBAZ-FSPLSTOPSA-N. The full InChI is InChI=1S/C7H11ClO/c1-5-3-2-4-6(8)7(5)9/h4-5,7,9H,2-3H2,1H3/t5-,7-/m0/s1.
What are the key properties of (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol?
(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol has a molecular weight of 146.62 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 58637363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).