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

C10H18O — CID 15348625

IUPAC2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol
SMILESCC1=CC(C)(C)[C@@H](CCO)C1
InChIInChI=1S/C10H18O/c1-8-6-9(4-5-11)10(2,3)7-8/h7,9,11H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyPILKKVFRRXUBOT-VIFPVBQESA-N
MW154.25 g/mol
LogP2.36
Rot. Bonds2

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

2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol (PubChem CID 15348625) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol
PubChem CID15348625
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol
SMILESCC1=CC(C)(C)[C@@H](CCO)C1
InChIInChI=1S/C10H18O/c1-8-6-9(4-5-11)10(2,3)7-8/h7,9,11H,4-6H2,1-3H3/t9-/m0/s1
InChIKeyPILKKVFRRXUBOT-VIFPVBQESA-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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Related Compounds

Citronellol
CID 8842
Beta-citronellol, (S)-
CID 7793
beta-CITRONELLOL, (R)-
CID 101977
alpha-CAMPHOLENOL
CID 61284
p-MENTH-1-EN-9-OL
CID 86753
2-Ethyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol, (E)-
CID 6438196
6,10-Dodecadien-1-ol, 3,7,11-trimethyl-
CID 439223
Ebanol
CID 6437266
(2E)-2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CID 6438195
Isocyclogeraniol
CID 109458
Sandalore
CID 103212
3,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-2-ol
CID 53425103

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol?
The IUPAC name of 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol (CID 15348625) is 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol is CC1=CC(C)(C)[C@@H](CCO)C1.
What is the InChIKey of 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol?
The InChIKey is PILKKVFRRXUBOT-VIFPVBQESA-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/t9-/m0/s1.
What are the key properties of 2-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol?
2-[(1R)-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-[(1R)-2,2,4-trimethylcyclopent-3-en-1-yl]ethanol is sourced from PubChem (CID 15348625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).