[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol

C11H20O2 — CID 3827008

IUPAC[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC(C)C(CO)(CO)C(C)C1
InChIInChI=1S/C11H20O2/c1-8-4-9(2)11(6-12,7-13)10(3)5-8/h4,9-10,12-13H,5-7H2,1-3H3
InChIKeyCWEMTLBBHAQCHP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.58
Rot. Bonds2

About [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol

[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol (PubChem CID 3827008) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol
PubChem CID3827008
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol
SMILESCC1=CC(C)C(CO)(CO)C(C)C1
InChIInChI=1S/C11H20O2/c1-8-4-9(2)11(6-12,7-13)10(3)5-8/h4,9-10,12-13H,5-7H2,1-3H3
InChIKeyCWEMTLBBHAQCHP-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.58
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)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol (CID 3827008) is [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol is CC1=CC(C)C(CO)(CO)C(C)C1.
What is the InChIKey of [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol?
The InChIKey is CWEMTLBBHAQCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-4-9(2)11(6-12,7-13)10(3)5-8/h4,9-10,12-13H,5-7H2,1-3H3.
What are the key properties of [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol?
[1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxymethyl)-2,4,6-trimethylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 3827008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).