3-(5-ethoxyheptyl)cyclopentene

C28H52O2 — CID 160888931

IUPAC3-(5-ethoxyheptyl)cyclopentene
SMILESCCOC(CC)CCCCC1C=CCC1.CCOC(CC)CCCCC1C=CCC1
InChIInChI=1S/2C14H26O/c2*1-3-14(15-4-2)12-8-7-11-13-9-5-6-10-13/h2*5,9,13-14H,3-4,6-8,10-12H2,1-2H3
InChIKeySNZSIDKMKJWUAY-UHFFFAOYSA-N
MW420.72 g/mol
LogP8.66
Rot. Bonds16

About 3-(5-ethoxyheptyl)cyclopentene

3-(5-ethoxyheptyl)cyclopentene (PubChem CID 160888931) has the molecular formula C28H52O2 and a molecular weight of 420.72 g/mol. Its IUPAC name is 3-(5-ethoxyheptyl)cyclopentene.

Molecular Properties

Compound Name3-(5-ethoxyheptyl)cyclopentene
PubChem CID160888931
Molecular FormulaC28H52O2
Molecular Weight420.72 g/mol
Exact Mass420.40
IUPAC Name3-(5-ethoxyheptyl)cyclopentene
SMILESCCOC(CC)CCCCC1C=CCC1.CCOC(CC)CCCCC1C=CCC1
InChIInChI=1S/2C14H26O/c2*1-3-14(15-4-2)12-8-7-11-13-9-5-6-10-13/h2*5,9,13-14H,3-4,6-8,10-12H2,1-2H3
InChIKeySNZSIDKMKJWUAY-UHFFFAOYSA-N
XLogP8.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.72
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-nonylcyclopentene
CID 90814175
(3S)-3-(7-methoxyheptyl)cyclopentene
CID 57194147
ethane;(3R)-3-ethylcyclopentene
CID 145484001
5-ethoxyheptan-1-ol
CID 15053038
(E,7R)-13-[(1S)-cyclopent-2-en-1-yl]-7-ethyltridec-4-enoic acid
CID 163058708
(3R)-3-hexylcyclohexene
CID 144775192
N-(2-cyclopent-2-en-1-ylethyl)butan-2-amine
CID 116674089
4-ethoxyhexan-1-amine
CID 21432824
(3R)-3-[4-[(2-methylpropan-2-yl)oxy]butyl]cyclohexene
CID 134966711
5-(2-ethoxyheptoxymethyl)cyclohexa-1,3-diene
CID 145008773
3-(2-bromo-1-ethoxyethoxy)cyclopentene
CID 11020841
11-[(1R)-cyclopent-2-en-1-yl]undecanoyl chloride
CID 58163629

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxyheptyl)cyclopentene?
The IUPAC name of 3-(5-ethoxyheptyl)cyclopentene (CID 160888931) is 3-(5-ethoxyheptyl)cyclopentene.
What is the SMILES notation for 3-(5-ethoxyheptyl)cyclopentene?
The canonical SMILES for 3-(5-ethoxyheptyl)cyclopentene is CCOC(CC)CCCCC1C=CCC1.CCOC(CC)CCCCC1C=CCC1.
What is the InChIKey of 3-(5-ethoxyheptyl)cyclopentene?
The InChIKey is SNZSIDKMKJWUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H26O/c2*1-3-14(15-4-2)12-8-7-11-13-9-5-6-10-13/h2*5,9,13-14H,3-4,6-8,10-12H2,1-2H3.
What are the key properties of 3-(5-ethoxyheptyl)cyclopentene?
3-(5-ethoxyheptyl)cyclopentene has a molecular weight of 420.72 g/mol, XLogP of 8.66, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxyheptyl)cyclopentene is sourced from PubChem (CID 160888931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).