2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol

C10H18O — CID 565700

IUPAC2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol
SMILESCC1=CC(C)(C)C(CCO)C1
InChIInChI=1S/C10H18O/c1-8-6-9(4-5-11)10(2,3)7-8/h7,9,11H,4-6H2,1-3H3
InChIKeyPILKKVFRRXUBOT-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

About 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol

2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol (PubChem CID 565700) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol
PubChem CID565700
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol
SMILESCC1=CC(C)(C)C(CCO)C1
InChIInChI=1S/C10H18O/c1-8-6-9(4-5-11)10(2,3)7-8/h7,9,11H,4-6H2,1-3H3
InChIKeyPILKKVFRRXUBOT-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol?
The IUPAC name of 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol (CID 565700) is 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol.
What is the SMILES notation for 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol?
The canonical SMILES for 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol is CC1=CC(C)(C)C(CCO)C1.
What is the InChIKey of 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol?
The InChIKey is PILKKVFRRXUBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8-6-9(4-5-11)10(2,3)7-8/h7,9,11H,4-6H2,1-3H3.
What are the key properties of 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol?
2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,4-trimethylcyclopent-3-en-1-yl)ethanol is sourced from PubChem (CID 565700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).