1-cyclobutyl-3-ethyl-4-methylcyclopentene

C12H20 — CID 163881123

IUPAC1-cyclobutyl-3-ethyl-4-methylcyclopentene
SMILESCCC1C=C(C2CCC2)CC1C
InChIInChI=1S/C12H20/c1-3-10-8-12(7-9(10)2)11-5-4-6-11/h8-11H,3-7H2,1-2H3
InChIKeyPTHBRGWQQAPEME-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.78
Rot. Bonds2

About 1-cyclobutyl-3-ethyl-4-methylcyclopentene

1-cyclobutyl-3-ethyl-4-methylcyclopentene (PubChem CID 163881123) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethyl-4-methylcyclopentene.

Molecular Properties

Compound Name1-cyclobutyl-3-ethyl-4-methylcyclopentene
PubChem CID163881123
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-cyclobutyl-3-ethyl-4-methylcyclopentene
SMILESCCC1C=C(C2CCC2)CC1C
InChIInChI=1S/C12H20/c1-3-10-8-12(7-9(10)2)11-5-4-6-11/h8-11H,3-7H2,1-2H3
InChIKeyPTHBRGWQQAPEME-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.78
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

(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
1-cyclobutyl-5-ethyl-4-methylcycloheptene
CID 123242728
(6S)-3-ethyl-1,4,6-trimethylcyclohexene
CID 163545872
trans-(1R,3R)-2-ethyl-1,3-dimethylcyclohexane
CID 124506499
(2S,4aR)-2-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 141401221
1-cyclobutylcyclobutene
CID 556361
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
1-(2-ethylcyclopropyl)-3,4-dimethylcyclohexene
CID 163715366
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
2-(7-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-yl)ethanol
CID 130152499
(3R)-3,4-dimethylbicyclo[3.1.0]hex-1(6)-ene
CID 163653956
ethylcyclobutane;methanamine
CID 175532329

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethyl-4-methylcyclopentene?
The IUPAC name of 1-cyclobutyl-3-ethyl-4-methylcyclopentene (CID 163881123) is 1-cyclobutyl-3-ethyl-4-methylcyclopentene.
What is the SMILES notation for 1-cyclobutyl-3-ethyl-4-methylcyclopentene?
The canonical SMILES for 1-cyclobutyl-3-ethyl-4-methylcyclopentene is CCC1C=C(C2CCC2)CC1C.
What is the InChIKey of 1-cyclobutyl-3-ethyl-4-methylcyclopentene?
The InChIKey is PTHBRGWQQAPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-3-10-8-12(7-9(10)2)11-5-4-6-11/h8-11H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-ethyl-4-methylcyclopentene?
1-cyclobutyl-3-ethyl-4-methylcyclopentene has a molecular weight of 164.29 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethyl-4-methylcyclopentene is sourced from PubChem (CID 163881123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).