3-ethyl-4-hexan-3-ylcyclopentene

C13H24 — CID 156719764

IUPAC3-ethyl-4-hexan-3-ylcyclopentene
SMILESCCCC(CC)C1CC=CC1CC
InChIInChI=1S/C13H24/c1-4-8-11(5-2)13-10-7-9-12(13)6-3/h7,9,11-13H,4-6,8,10H2,1-3H3
InChIKeyDAFXJANVJONXHB-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds5

About 3-ethyl-4-hexan-3-ylcyclopentene

3-ethyl-4-hexan-3-ylcyclopentene (PubChem CID 156719764) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-ethyl-4-hexan-3-ylcyclopentene.

Molecular Properties

Compound Name3-ethyl-4-hexan-3-ylcyclopentene
PubChem CID156719764
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-ethyl-4-hexan-3-ylcyclopentene
SMILESCCCC(CC)C1CC=CC1CC
InChIInChI=1S/C13H24/c1-4-8-11(5-2)13-10-7-9-12(13)6-3/h7,9,11-13H,4-6,8,10H2,1-3H3
InChIKeyDAFXJANVJONXHB-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-heptan-4-ylcyclopentene
CID 168807124
cyclopropane;ethane;1-hexan-3-yl-2-methylcyclobutane;methylcyclopropane;propane
CID 143682571
(4-hexan-3-yl-5-methylcyclohexen-1-yl)methanol
CID 67561791
4-hexan-3-ylcyclopent-2-en-1-amine
CID 126516918
(4S)-4-[(2S)-butan-2-yl]-3-methylcyclopentene
CID 149377273
4-methyl-3-propylcyclopentene
CID 91050594
5,6-diethyl-N,N-dimethylcyclohex-3-en-1-amine
CID 54568279
(2S,7R)-7-hexan-3-yl-2-pentan-3-yl-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene-1,8-diol
CID 170527310
1-hexan-3-yl-4-methylcyclohexane;propane
CID 143181984
3-pentan-3-ylcyclohexa-1,4-diene
CID 123958153
4-hexan-3-yloxane
CID 118974929
1-[(1S,2S,6S)-2-ethyl-6-methylcyclohex-3-en-1-yl]ethanone
CID 67530837

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hexan-3-ylcyclopentene?
The IUPAC name of 3-ethyl-4-hexan-3-ylcyclopentene (CID 156719764) is 3-ethyl-4-hexan-3-ylcyclopentene.
What is the SMILES notation for 3-ethyl-4-hexan-3-ylcyclopentene?
The canonical SMILES for 3-ethyl-4-hexan-3-ylcyclopentene is CCCC(CC)C1CC=CC1CC.
What is the InChIKey of 3-ethyl-4-hexan-3-ylcyclopentene?
The InChIKey is DAFXJANVJONXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-4-8-11(5-2)13-10-7-9-12(13)6-3/h7,9,11-13H,4-6,8,10H2,1-3H3.
What are the key properties of 3-ethyl-4-hexan-3-ylcyclopentene?
3-ethyl-4-hexan-3-ylcyclopentene has a molecular weight of 180.33 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hexan-3-ylcyclopentene is sourced from PubChem (CID 156719764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).