1-(2-methylbutyl)cyclobutene

C9H16 — CID 123668229

IUPAC1-(2-methylbutyl)cyclobutene
SMILESCCC(C)CC1=CCC1
InChIInChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyUBTCOCCHUHMUBZ-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds3

About 1-(2-methylbutyl)cyclobutene

1-(2-methylbutyl)cyclobutene (PubChem CID 123668229) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-(2-methylbutyl)cyclobutene.

Molecular Properties

Compound Name1-(2-methylbutyl)cyclobutene
PubChem CID123668229
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-(2-methylbutyl)cyclobutene
SMILESCCC(C)CC1=CCC1
InChIInChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h5,8H,3-4,6-7H2,1-2H3
InChIKeyUBTCOCCHUHMUBZ-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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-(2-methylbutyl)cyclopenta-1,3-diene
CID 12615007
ethane;1-(2-methylpentyl)cyclohexene
CID 144539810
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
3-(2-methylbutyl)-2H-azirine
CID 123420731
1-(5-ethylcyclohexa-1,5-dien-1-yl)ethanol
CID 89393276
2-(2-methylbutyl)cyclopent-2-ene-1-carbaldehyde
CID 174625891
2-(cyclopenten-1-ylmethyl)butan-1-ol
CID 131227127
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
1-(2-methylheptyl)cyclopropene
CID 22621699
3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene
CID 143923068
3-ethyl-N-methyl-N-[2-[2-[methyl-[5-(2-methylbutyl)cyclohexa-1,5-diene-1-carbonyl]amino]ethyl-[2-[methyl-(3-propylbenzoyl)amino]ethyl]amino]ethyl]benzamide
CID 142530047

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)cyclobutene?
The IUPAC name of 1-(2-methylbutyl)cyclobutene (CID 123668229) is 1-(2-methylbutyl)cyclobutene.
What is the SMILES notation for 1-(2-methylbutyl)cyclobutene?
The canonical SMILES for 1-(2-methylbutyl)cyclobutene is CCC(C)CC1=CCC1.
What is the InChIKey of 1-(2-methylbutyl)cyclobutene?
The InChIKey is UBTCOCCHUHMUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-8(2)7-9-5-4-6-9/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(2-methylbutyl)cyclobutene?
1-(2-methylbutyl)cyclobutene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)cyclobutene is sourced from PubChem (CID 123668229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).