1-methyl-3-propylcyclobutene

C8H14 — CID 14434507

IUPAC1-methyl-3-propylcyclobutene
SMILESCCCC1C=C(C)C1
InChIInChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyTWUTZLISWNBMHY-UHFFFAOYSA-N
MW110.20 g/mol
LogP2.75
Rot. Bonds2

About 1-methyl-3-propylcyclobutene

1-methyl-3-propylcyclobutene (PubChem CID 14434507) has the molecular formula C8H14 and a molecular weight of 110.20 g/mol. Its IUPAC name is 1-methyl-3-propylcyclobutene.

Molecular Properties

Compound Name1-methyl-3-propylcyclobutene
PubChem CID14434507
Molecular FormulaC8H14
Molecular Weight110.20 g/mol
Exact Mass110.11
IUPAC Name1-methyl-3-propylcyclobutene
SMILESCCCC1C=C(C)C1
InChIInChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h5,8H,3-4,6H2,1-2H3
InChIKeyTWUTZLISWNBMHY-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-3-propylcyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1,5-dimethylcyclohexene
CID 123667989
3-fluoro-2-methyl-5-propylcyclohexa-1,3-diene
CID 89277390
(2,6-dimethyl-4-propylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 102453125
(3S)-1,3-dimethylcyclobutene
CID 58737300
5-butyl-3-methylbicyclo[4.1.0]hept-2-ene
CID 163599427
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
5-propylcyclohexa-1,3-dien-1-ol
CID 142071341
3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
CID 123707543
5-butyl-3-methylcyclohex-2-ene-1-carbaldehyde
CID 174746756
N-(3-propylcyclohexa-1,5-dien-1-yl)hydroxylamine
CID 163983354
5-propylcyclohexa-1,3-diene
CID 13212987
2,4-dibutylcyclopent-2-en-1-one
CID 15110256

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylcyclobutene?
The IUPAC name of 1-methyl-3-propylcyclobutene (CID 14434507) is 1-methyl-3-propylcyclobutene.
What is the SMILES notation for 1-methyl-3-propylcyclobutene?
The canonical SMILES for 1-methyl-3-propylcyclobutene is CCCC1C=C(C)C1.
What is the InChIKey of 1-methyl-3-propylcyclobutene?
The InChIKey is TWUTZLISWNBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14/c1-3-4-8-5-7(2)6-8/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 1-methyl-3-propylcyclobutene?
1-methyl-3-propylcyclobutene has a molecular weight of 110.20 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylcyclobutene is sourced from PubChem (CID 14434507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).