3-methyl-6-propan-2-ylcyclohexene-1,3-diol

C10H18O2 — CID 69019845

IUPAC3-methyl-6-propan-2-ylcyclohexene-1,3-diol
SMILESCC(C)C1CCC(C)(O)C=C1O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h6-8,11-12H,4-5H2,1-3H3
InChIKeyTXMVUYJXQSUPRD-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.25
Rot. Bonds1

About 3-methyl-6-propan-2-ylcyclohexene-1,3-diol

3-methyl-6-propan-2-ylcyclohexene-1,3-diol (PubChem CID 69019845) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-6-propan-2-ylcyclohexene-1,3-diol.

Molecular Properties

Compound Name3-methyl-6-propan-2-ylcyclohexene-1,3-diol
PubChem CID69019845
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-6-propan-2-ylcyclohexene-1,3-diol
SMILESCC(C)C1CCC(C)(O)C=C1O
InChIInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h6-8,11-12H,4-5H2,1-3H3
InChIKeyTXMVUYJXQSUPRD-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-ylcyclohexene-1,3-diol?
The IUPAC name of 3-methyl-6-propan-2-ylcyclohexene-1,3-diol (CID 69019845) is 3-methyl-6-propan-2-ylcyclohexene-1,3-diol.
What is the SMILES notation for 3-methyl-6-propan-2-ylcyclohexene-1,3-diol?
The canonical SMILES for 3-methyl-6-propan-2-ylcyclohexene-1,3-diol is CC(C)C1CCC(C)(O)C=C1O.
What is the InChIKey of 3-methyl-6-propan-2-ylcyclohexene-1,3-diol?
The InChIKey is TXMVUYJXQSUPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h6-8,11-12H,4-5H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-ylcyclohexene-1,3-diol?
3-methyl-6-propan-2-ylcyclohexene-1,3-diol has a molecular weight of 170.25 g/mol, XLogP of 2.25, 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-ylcyclohexene-1,3-diol is sourced from PubChem (CID 69019845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).