2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol

C15H28O — CID 21149566

IUPAC2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol
SMILESCCCC(CO)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C15H28O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyGRZGHPUCFCQWND-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.17
Rot. Bonds6

About 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol

2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol (PubChem CID 21149566) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol
PubChem CID21149566
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol
SMILESCCCC(CO)CCC1CC=C(C)C1(C)C
InChIInChI=1S/C15H28O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,13-14,16H,5-6,8-11H2,1-4H3
InChIKeyGRZGHPUCFCQWND-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.17
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-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol?
The IUPAC name of 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol (CID 21149566) is 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol.
What is the SMILES notation for 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol?
The canonical SMILES for 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol is CCCC(CO)CCC1CC=C(C)C1(C)C.
What is the InChIKey of 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol?
The InChIKey is GRZGHPUCFCQWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-5-6-13(11-16)8-10-14-9-7-12(2)15(14,3)4/h7,13-14,16H,5-6,8-11H2,1-4H3.
What are the key properties of 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol?
2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethyl]pentan-1-ol is sourced from PubChem (CID 21149566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).