[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol

C10H18O2 — CID 19803364

IUPAC[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC(C)CC(CO)(CO)C1
InChIInChI=1S/C10H18O2/c1-8-3-9(2)5-10(4-8,6-11)7-12/h3,8,11-12H,4-7H2,1-2H3
InChIKeyCGGFMLJUPTTZPB-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol

[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol (PubChem CID 19803364) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol
PubChem CID19803364
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC(C)CC(CO)(CO)C1
InChIInChI=1S/C10H18O2/c1-8-3-9(2)5-10(4-8,6-11)7-12/h3,8,11-12H,4-7H2,1-2H3
InChIKeyCGGFMLJUPTTZPB-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol (CID 19803364) is [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol is CC1=CC(C)CC(CO)(CO)C1.
What is the InChIKey of [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol?
The InChIKey is CGGFMLJUPTTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8-3-9(2)5-10(4-8,6-11)7-12/h3,8,11-12H,4-7H2,1-2H3.
What are the key properties of [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol?
[1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-3,5-dimethylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 19803364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).