1-butyl-4-ethyl-4-methylcyclopentene

C12H22 — CID 146868336

IUPAC1-butyl-4-ethyl-4-methylcyclopentene
SMILESCCCCC1=CCC(C)(CC)C1
InChIInChI=1S/C12H22/c1-4-6-7-11-8-9-12(3,5-2)10-11/h8H,4-7,9-10H2,1-3H3
InChIKeySMTZSXQPBGSPPK-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.31
Rot. Bonds4

About 1-butyl-4-ethyl-4-methylcyclopentene

1-butyl-4-ethyl-4-methylcyclopentene (PubChem CID 146868336) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 1-butyl-4-ethyl-4-methylcyclopentene.

Molecular Properties

Compound Name1-butyl-4-ethyl-4-methylcyclopentene
PubChem CID146868336
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name1-butyl-4-ethyl-4-methylcyclopentene
SMILESCCCCC1=CCC(C)(CC)C1
InChIInChI=1S/C12H22/c1-4-6-7-11-8-9-12(3,5-2)10-11/h8H,4-7,9-10H2,1-3H3
InChIKeySMTZSXQPBGSPPK-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.31
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

1-pentylcyclopropene
CID 159067584
1-butyl-3-chloro-5,5-dimethylcyclohexene
CID 65174791
1-dodecylcyclopropene
CID 22621656
1-tridecylcyclopropene
CID 22621692
2,5-dibutyl-5-methylcyclohexa-1,3-diene
CID 90832569
3-butyl-2H-oxete
CID 141123822
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-butylcyclononene
CID 56981158
1-butyl-4-ethylcyclopenta-1,3-diene
CID 139667427
1-hexylcyclobutene
CID 86205685
3-(4-ethyl-4-methylcyclohexen-1-yl)-2-methylpropanal
CID 151351842
4-butyl-1,2-dimethyl-2,5-dihydropyrrole
CID 15505992

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-ethyl-4-methylcyclopentene?
The IUPAC name of 1-butyl-4-ethyl-4-methylcyclopentene (CID 146868336) is 1-butyl-4-ethyl-4-methylcyclopentene.
What is the SMILES notation for 1-butyl-4-ethyl-4-methylcyclopentene?
The canonical SMILES for 1-butyl-4-ethyl-4-methylcyclopentene is CCCCC1=CCC(C)(CC)C1.
What is the InChIKey of 1-butyl-4-ethyl-4-methylcyclopentene?
The InChIKey is SMTZSXQPBGSPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-4-6-7-11-8-9-12(3,5-2)10-11/h8H,4-7,9-10H2,1-3H3.
What are the key properties of 1-butyl-4-ethyl-4-methylcyclopentene?
1-butyl-4-ethyl-4-methylcyclopentene has a molecular weight of 166.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-ethyl-4-methylcyclopentene is sourced from PubChem (CID 146868336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).