3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol

C10H18O2 — CID 24901214

IUPAC3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol
SMILESCC1=CCC(C(C)C)C(O)C1O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,6,8-12H,5H2,1-3H3
InChIKeyIZVTYOJWVVOBBO-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds1

About 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol

3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol (PubChem CID 24901214) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol
PubChem CID24901214
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol
SMILESCC1=CCC(C(C)C)C(O)C1O
InChIInChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,6,8-12H,5H2,1-3H3
InChIKeyIZVTYOJWVVOBBO-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Carveol
CID 7438
Carveol, trans-(-)-
CID 94221
Carveol, cis-(-)-
CID 330573
Sobrerol
CID 91463
p-Menth-1-en-3-ol
CID 10282
(+)-cis-Carveol
CID 443177
cis-Piperitol
CID 85567
(+)-trans-Carveol
CID 443178
(1S,6S)-3-methyl-6-(propan-2-yl)cyclohex-2-en-1-ol
CID 12314336
3-Methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol
CID 527822
trans-Sobrerol
CID 854498
2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-
CID 85568

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol?
The IUPAC name of 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol (CID 24901214) is 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol?
The canonical SMILES for 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol is CC1=CCC(C(C)C)C(O)C1O.
What is the InChIKey of 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol?
The InChIKey is IZVTYOJWVVOBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h4,6,8-12H,5H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol?
3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-ylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 24901214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).