(1S)-2,3-dimethylidenecyclohexan-1-ol

C8H12O — CID 142175224

IUPAC(1S)-2,3-dimethylidenecyclohexan-1-ol
SMILESC=C1CCC[C@H](O)C1=C
InChIInChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h8-9H,1-5H2/t8-/m0/s1
InChIKeyVAWDQDAPJKTONK-QMMMGPOBSA-N
MW124.18 g/mol
LogP1.64
Rot. Bonds

About (1S)-2,3-dimethylidenecyclohexan-1-ol

(1S)-2,3-dimethylidenecyclohexan-1-ol (PubChem CID 142175224) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1S)-2,3-dimethylidenecyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2,3-dimethylidenecyclohexan-1-ol
PubChem CID142175224
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1S)-2,3-dimethylidenecyclohexan-1-ol
SMILESC=C1CCC[C@H](O)C1=C
InChIInChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h8-9H,1-5H2/t8-/m0/s1
InChIKeyVAWDQDAPJKTONK-QMMMGPOBSA-N
XLogP1.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylidenecyclohexan-1-ol;ethane
CID 142053624
(3Z)-3-(iodomethylidene)-2-methylidenecyclohexan-1-ol
CID 11791593
(1R,3Z)-3-(2,2-dimethylpropylidene)-2-methylidenecyclohexan-1-ol
CID 58687885
2-methylidenecyclooctane-1,3-diol
CID 130147976
1-methyl-2,3-dimethylidenecycloheptane
CID 20744103
3-methylidenecyclohexan-1-ol
CID 13244819
bis(2,3-dimethylidenecyclohexyl) benzene-1,2-dicarboxylate
CID 88769233
(1S)-1,2,3,4,5,6,7,8-octahydroanthracene-1,9,10-triol
CID 11160655
(1S,2E)-2-(cyclohexylmethylidene)cyclopentan-1-ol
CID 11542876
(1R)-2,3-bis(ethenyl)cyclohex-2-en-1-ol;ethane;fluoromethane
CID 143947837
2-ethylidenecyclopentan-1-ol
CID 72740887
2-iminocyclopentan-1-ol
CID 131743641

Frequently Asked Questions

What is the IUPAC name of (1S)-2,3-dimethylidenecyclohexan-1-ol?
The IUPAC name of (1S)-2,3-dimethylidenecyclohexan-1-ol (CID 142175224) is (1S)-2,3-dimethylidenecyclohexan-1-ol.
What is the SMILES notation for (1S)-2,3-dimethylidenecyclohexan-1-ol?
The canonical SMILES for (1S)-2,3-dimethylidenecyclohexan-1-ol is C=C1CCC[C@H](O)C1=C.
What is the InChIKey of (1S)-2,3-dimethylidenecyclohexan-1-ol?
The InChIKey is VAWDQDAPJKTONK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O/c1-6-4-3-5-8(9)7(6)2/h8-9H,1-5H2/t8-/m0/s1.
What are the key properties of (1S)-2,3-dimethylidenecyclohexan-1-ol?
(1S)-2,3-dimethylidenecyclohexan-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,3-dimethylidenecyclohexan-1-ol is sourced from PubChem (CID 142175224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).