4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol

C17H30O — CID 66699482

IUPAC4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol
SMILESC=CCC1CCC(C(=C)CC(CC)CO)C1(C)C
InChIInChI=1S/C17H30O/c1-6-8-15-9-10-16(17(15,4)5)13(3)11-14(7-2)12-18/h6,14-16,18H,1,3,7-12H2,2,4-5H3
InChIKeyCQCQFLBPDYBCKT-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.58
Rot. Bonds7

About 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol

4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol (PubChem CID 66699482) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol.

Molecular Properties

Compound Name4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol
PubChem CID66699482
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol
SMILESC=CCC1CCC(C(=C)CC(CC)CO)C1(C)C
InChIInChI=1S/C17H30O/c1-6-8-15-9-10-16(17(15,4)5)13(3)11-14(7-2)12-18/h6,14-16,18H,1,3,7-12H2,2,4-5H3
InChIKeyCQCQFLBPDYBCKT-UHFFFAOYSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol?
The IUPAC name of 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol (CID 66699482) is 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol.
What is the SMILES notation for 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol?
The canonical SMILES for 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol is C=CCC1CCC(C(=C)CC(CC)CO)C1(C)C.
What is the InChIKey of 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol?
The InChIKey is CQCQFLBPDYBCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-6-8-15-9-10-16(17(15,4)5)13(3)11-14(7-2)12-18/h6,14-16,18H,1,3,7-12H2,2,4-5H3.
What are the key properties of 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol?
4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol has a molecular weight of 250.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3-prop-2-enylcyclopentyl)-2-ethylpent-4-en-1-ol is sourced from PubChem (CID 66699482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).