2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol

C11H20O — CID 14114555

IUPAC2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol
SMILESCC1CCC=C1CC(C)(C)CO
InChIInChI=1S/C11H20O/c1-9-5-4-6-10(9)7-11(2,3)8-12/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyHPFJBXPOFKQDMK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds3

About 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol

2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol (PubChem CID 14114555) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol
PubChem CID14114555
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol
SMILESCC1CCC=C1CC(C)(C)CO
InChIInChI=1S/C11H20O/c1-9-5-4-6-10(9)7-11(2,3)8-12/h6,9,12H,4-5,7-8H2,1-3H3
InChIKeyHPFJBXPOFKQDMK-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.75
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-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol (CID 14114555) is 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol is CC1CCC=C1CC(C)(C)CO.
What is the InChIKey of 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol?
The InChIKey is HPFJBXPOFKQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9-5-4-6-10(9)7-11(2,3)8-12/h6,9,12H,4-5,7-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol?
2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol is sourced from PubChem (CID 14114555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).