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

C9H16O2 — CID 130127294

IUPAC[3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol
SMILESCC1(C)C(CO)=CCC1CO
InChIInChI=1S/C9H16O2/c1-9(2)7(5-10)3-4-8(9)6-11/h3,8,10-11H,4-6H2,1-2H3
InChIKeyDMLGHBDLIROHFE-UHFFFAOYSA-N
MW156.22 g/mol
LogP0.94
Rot. Bonds2

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

[3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol (PubChem CID 130127294) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol
PubChem CID130127294
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name[3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol
SMILESCC1(C)C(CO)=CCC1CO
InChIInChI=1S/C9H16O2/c1-9(2)7(5-10)3-4-8(9)6-11/h3,8,10-11H,4-6H2,1-2H3
InChIKeyDMLGHBDLIROHFE-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

alpha-CAMPHOLENOL
CID 61284
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
2-Buten-1-ol, 2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 119897
4-Hexen-3-ol, 6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 106807
4-Hexen-3-ol, 4-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CID 106812
[(1R,4R)-3,4,5,5-tetramethylcyclopent-2-en-1-yl]methanol
CID 15139291
3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-3-penten-2-ol
CID 6437460
(2S)-2-[(1R)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]propan-1-ol
CID 10877559
(1R,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 14159755
2-((1R)-2,2,4-Trimethylcyclopent-3-en-1-yl)ethan-1-ol
CID 15348625
(1S,4R)-4-[(E,3R)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-ol
CID 101338767

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol (CID 130127294) is [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol is CC1(C)C(CO)=CCC1CO.
What is the InChIKey of [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol?
The InChIKey is DMLGHBDLIROHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-9(2)7(5-10)3-4-8(9)6-11/h3,8,10-11H,4-6H2,1-2H3.
What are the key properties of [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol?
[3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol has a molecular weight of 156.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,2-dimethylcyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 130127294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).