3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene

C19H32 — CID 173300064

IUPAC3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene
SMILESCCCCCCC1CCC=C1C1(CC)C=CCCC1
InChIInChI=1S/C19H32/c1-3-5-6-8-12-17-13-11-14-18(17)19(4-2)15-9-7-10-16-19/h9,14-15,17H,3-8,10-13,16H2,1-2H3
InChIKeyFMBHQLPGJUICNH-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.43
Rot. Bonds7

About 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene

3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene (PubChem CID 173300064) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene.

Molecular Properties

Compound Name3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene
PubChem CID173300064
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene
SMILESCCCCCCC1CCC=C1C1(CC)C=CCCC1
InChIInChI=1S/C19H32/c1-3-5-6-8-12-17-13-11-14-18(17)19(4-2)15-9-7-10-16-19/h9,14-15,17H,3-8,10-13,16H2,1-2H3
InChIKeyFMBHQLPGJUICNH-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-(1-butylcyclohex-2-en-1-yl)-6-octadec-9-enylcyclohexene
CID 173156406
6-heptylcyclohex-2-en-1-one
CID 19005489
(6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-octyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 10572117
(6S)-10,13-dimethyl-6-octyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
CID 23645002
1-nonylcyclohex-2-en-1-amine
CID 57359777
1-heptylcyclohex-2-en-1-ol
CID 86052671
(6R)-1-iodo-6-pentylcyclohexene
CID 101240522
(6S,8R,9S,10R,13S,14S)-10,13-dimethyl-6-pentyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 10688694
(3R)-3-hexylcyclohexene
CID 144775192
3,3-dibutylcyclohexene
CID 174543750
1-octyl-2-pentylcyclopentane
CID 170668279
1,2-diheptylcyclopentane
CID 102061720

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene?
The IUPAC name of 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene (CID 173300064) is 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene.
What is the SMILES notation for 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene?
The canonical SMILES for 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene is CCCCCCC1CCC=C1C1(CC)C=CCCC1.
What is the InChIKey of 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene?
The InChIKey is FMBHQLPGJUICNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-6-8-12-17-13-11-14-18(17)19(4-2)15-9-7-10-16-19/h9,14-15,17H,3-8,10-13,16H2,1-2H3.
What are the key properties of 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene?
3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene has a molecular weight of 260.46 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(5-hexylcyclopenten-1-yl)cyclohexene is sourced from PubChem (CID 173300064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).