(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol

C9H14O2 — CID 10964725

IUPAC(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
SMILESC=C1C=C(C)[C@@](C)(O)C[C@@H]1O
InChIInChI=1S/C9H14O2/c1-6-4-7(2)9(3,11)5-8(6)10/h4,8,10-11H,1,5H2,2-3H3/t8-,9-/m0/s1
InChIKeySRZVPVGVTJEQDG-IUCAKERBSA-N
MW154.21 g/mol
LogP1.00
Rot. Bonds

About (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol

(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol (PubChem CID 10964725) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol.

Molecular Properties

Compound Name(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
PubChem CID10964725
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol
SMILESC=C1C=C(C)[C@@](C)(O)C[C@@H]1O
InChIInChI=1S/C9H14O2/c1-6-4-7(2)9(3,11)5-8(6)10/h4,8,10-11H,1,5H2,2-3H3/t8-,9-/m0/s1
InChIKeySRZVPVGVTJEQDG-IUCAKERBSA-N
XLogP1.00
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
(+)-cis-Carveol
CID 443177
(+)-trans-Carveol
CID 443178
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
(-)-trans-Isopiperitenol
CID 439410
(1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 11579163
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethenyl)-, (1R,6R)-
CID 12311192
5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
(1R,2R,6S)-3-methyl-6-(1-methylethenyl)cyclohex-3-ene-1,2-diol
CID 53257409
4-(3-Hydroxybut-1-enyl)-3,5,5-trimethylcyclohex-3-enol
CID 5352752

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol?
The IUPAC name of (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol (CID 10964725) is (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol.
What is the SMILES notation for (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol?
The canonical SMILES for (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol is C=C1C=C(C)[C@@](C)(O)C[C@@H]1O.
What is the InChIKey of (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol?
The InChIKey is SRZVPVGVTJEQDG-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-7(2)9(3,11)5-8(6)10/h4,8,10-11H,1,5H2,2-3H3/t8-,9-/m0/s1.
What are the key properties of (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol?
(1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol has a molecular weight of 154.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3,4-dimethyl-6-methylidenecyclohex-4-ene-1,3-diol is sourced from PubChem (CID 10964725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).