[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol

C10H18O2 — CID 18761711

IUPAC[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1C=CCC(C)C1(CO)CO
InChIInChI=1S/C10H18O2/c1-8-4-3-5-9(2)10(8,6-11)7-12/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyLVQRYDQUDVBRCC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.19
Rot. Bonds2

About [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol

[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol (PubChem CID 18761711) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol
PubChem CID18761711
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1C=CCC(C)C1(CO)CO
InChIInChI=1S/C10H18O2/c1-8-4-3-5-9(2)10(8,6-11)7-12/h3-4,8-9,11-12H,5-7H2,1-2H3
InChIKeyLVQRYDQUDVBRCC-UHFFFAOYSA-N
XLogP1.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol (CID 18761711) is [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol is CC1C=CCC(C)C1(CO)CO.
What is the InChIKey of [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol?
The InChIKey is LVQRYDQUDVBRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-4-3-5-9(2)10(8,6-11)7-12/h3-4,8-9,11-12H,5-7H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol?
[1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2,6-dimethylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 18761711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).