[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol

C9H16O2 — CID 3809023

IUPAC[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
SMILESCC1=CCC(CO)(CO)CC1
InChIInChI=1S/C9H16O2/c1-8-2-4-9(6-10,7-11)5-3-8/h2,10-11H,3-7H2,1H3
InChIKeyJTRLVVUONAUOHI-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.09
Rot. Bonds2

About [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol

[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol (PubChem CID 3809023) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
PubChem CID3809023
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Name[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol
SMILESCC1=CCC(CO)(CO)CC1
InChIInChI=1S/C9H16O2/c1-8-2-4-9(6-10,7-11)5-3-8/h2,10-11H,3-7H2,1H3
InChIKeyJTRLVVUONAUOHI-UHFFFAOYSA-N
XLogP1.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.09
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)-4-methylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol (CID 3809023) is [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol is CC1=CCC(CO)(CO)CC1.
What is the InChIKey of [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
The InChIKey is JTRLVVUONAUOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8-2-4-9(6-10,7-11)5-3-8/h2,10-11H,3-7H2,1H3.
What are the key properties of [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol?
[1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol has a molecular weight of 156.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-4-methylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 3809023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).