2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol

C11H20O2 — CID 14380813

IUPAC2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
SMILESCC1=C(CCO)CC(CO)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-9(4-5-12)6-10(7-13)11(8,2)3/h10,12-13H,4-7H2,1-3H3
InChIKeyOTYIKQPINSKPTF-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds3

About 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol

2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol (PubChem CID 14380813) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
PubChem CID14380813
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol
SMILESCC1=C(CCO)CC(CO)C1(C)C
InChIInChI=1S/C11H20O2/c1-8-9(4-5-12)6-10(7-13)11(8,2)3/h10,12-13H,4-7H2,1-3H3
InChIKeyOTYIKQPINSKPTF-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
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

(2E)-2-[3-(hydroxymethyl)-2,2-dimethylcyclobutylidene]propan-1-ol
CID 155766086
(2,2-dimethyl-3-prop-1-enylidenecyclobutyl)methanol
CID 167543453
2-[2-(hydroxymethyl)-4,5,5-trimethylcyclopenten-1-yl]ethanol
CID 118625637
3-(hydroxymethyl)-2,2-dimethylcyclopentan-1-one
CID 10997135
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
CID 165387213
2-[2,3-bis(hydroxymethyl)cyclopenten-1-yl]ethanol
CID 14466823
6-(hydroxymethyl)-1,3,4-trimethylcyclohex-3-ene-1-carboxylic acid
CID 14471683
2-[(1R,3R)-3-(hydroxymethyl)-2,2-dimethylcyclobutyl]ethanol
CID 10725629
[(1S)-2,2-dimethylcyclobutyl]methanol
CID 129404662
(2,3,4,4-tetramethylcyclopent-2-en-1-yl)methanol
CID 579299
[(2R)-2-tert-butyl-2-methylcyclopropyl]methanol
CID 89425175
(2,2,3,4-tetramethylcyclopent-3-en-1-yl)methyl 2-methylpropanoate
CID 162705349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol?
The IUPAC name of 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol (CID 14380813) is 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol.
What is the SMILES notation for 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol?
The canonical SMILES for 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol is CC1=C(CCO)CC(CO)C1(C)C.
What is the InChIKey of 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol?
The InChIKey is OTYIKQPINSKPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-9(4-5-12)6-10(7-13)11(8,2)3/h10,12-13H,4-7H2,1-3H3.
What are the key properties of 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol?
2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol has a molecular weight of 184.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)-2,3,3-trimethylcyclopenten-1-yl]ethanol is sourced from PubChem (CID 14380813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).