1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol

C11H20O — CID 15219079

IUPAC1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC(C)O)C1(C)C
InChIInChI=1S/C11H20O/c1-8-5-6-10(7-9(2)12)11(8,3)4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyFDUXQXKWBTWBGF-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.75
Rot. Bonds2

About 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol

1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol (PubChem CID 15219079) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol
PubChem CID15219079
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol
SMILESCC1=CCC(CC(C)O)C1(C)C
InChIInChI=1S/C11H20O/c1-8-5-6-10(7-9(2)12)11(8,3)4/h5,9-10,12H,6-7H2,1-4H3
InChIKeyFDUXQXKWBTWBGF-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol?
The IUPAC name of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol (CID 15219079) is 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol?
The canonical SMILES for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol is CC1=CCC(CC(C)O)C1(C)C.
What is the InChIKey of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol?
The InChIKey is FDUXQXKWBTWBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-6-10(7-9(2)12)11(8,3)4/h5,9-10,12H,6-7H2,1-4H3.
What are the key properties of 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol?
1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol has a molecular weight of 168.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3-trimethylcyclopent-3-en-1-yl)propan-2-ol is sourced from PubChem (CID 15219079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).