(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol

C13H22O — CID 23597323

IUPAC(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol
SMILESC=C/C=C/CC(C)C(O)C1CCCC1
InChIInChI=1S/C13H22O/c1-3-4-5-8-11(2)13(14)12-9-6-7-10-12/h3-5,11-14H,1,6-10H2,2H3/b5-4+
InChIKeySCVFIUMWOOAKSM-SNAWJCMRSA-N
MW194.32 g/mol
LogP3.31
Rot. Bonds5

About (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol

(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol (PubChem CID 23597323) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol
PubChem CID23597323
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol
SMILESC=C/C=C/CC(C)C(O)C1CCCC1
InChIInChI=1S/C13H22O/c1-3-4-5-8-11(2)13(14)12-9-6-7-10-12/h3-5,11-14H,1,6-10H2,2H3/b5-4+
InChIKeySCVFIUMWOOAKSM-SNAWJCMRSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol?
The IUPAC name of (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol (CID 23597323) is (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol.
What is the SMILES notation for (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol?
The canonical SMILES for (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol is C=C/C=C/CC(C)C(O)C1CCCC1.
What is the InChIKey of (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol?
The InChIKey is SCVFIUMWOOAKSM-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H22O/c1-3-4-5-8-11(2)13(14)12-9-6-7-10-12/h3-5,11-14H,1,6-10H2,2H3/b5-4+.
What are the key properties of (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol?
(4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-1-cyclopentyl-2-methylhepta-4,6-dien-1-ol is sourced from PubChem (CID 23597323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).