1-ethyl-1-prop-2-enylcyclobutane

C9H16 — CID 123404506

IUPAC1-ethyl-1-prop-2-enylcyclobutane
SMILESC=CCC1(CC)CCC1
InChIInChI=1S/C9H16/c1-3-6-9(4-2)7-5-8-9/h3H,1,4-8H2,2H3
InChIKeyOQMLAWQAWKITKV-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds3

About 1-ethyl-1-prop-2-enylcyclobutane

1-ethyl-1-prop-2-enylcyclobutane (PubChem CID 123404506) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-ethyl-1-prop-2-enylcyclobutane.

Molecular Properties

Compound Name1-ethyl-1-prop-2-enylcyclobutane
PubChem CID123404506
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-ethyl-1-prop-2-enylcyclobutane
SMILESC=CCC1(CC)CCC1
InChIInChI=1S/C9H16/c1-3-6-9(4-2)7-5-8-9/h3H,1,4-8H2,2H3
InChIKeyOQMLAWQAWKITKV-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'}

Analyze 1-ethyl-1-prop-2-enylcyclobutane 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

2-(1-ethylcyclobutyl)acetaldehyde
CID 130601222
1,1-bis(prop-2-enyl)cycloheptane
CID 90742385
N-methyl-1-(1-prop-2-enylcyclobutyl)methanamine
CID 130672837
3-ethyl-3-prop-2-enyloxetane
CID 68640910
2-(1-prop-2-enylcyclohexyl)acetaldehyde
CID 163359647
dimethyl-[(1-prop-2-enylcyclobutyl)methoxy]silane
CID 175444338
6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 11298330
CID 87686017
CID 87686017
1,5-dimethyl-8-prop-2-enylbicyclo[3.2.1]octan-8-ol
CID 70541588
4-ethyl-1,1-bis(prop-2-enyl)cyclohexane
CID 163799692
1-ethyl-1-propylcyclobutane
CID 58586108
1-(chloromethyl)-1-prop-2-enylcyclopropane
CID 130618366

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-prop-2-enylcyclobutane?
The IUPAC name of 1-ethyl-1-prop-2-enylcyclobutane (CID 123404506) is 1-ethyl-1-prop-2-enylcyclobutane.
What is the SMILES notation for 1-ethyl-1-prop-2-enylcyclobutane?
The canonical SMILES for 1-ethyl-1-prop-2-enylcyclobutane is C=CCC1(CC)CCC1.
What is the InChIKey of 1-ethyl-1-prop-2-enylcyclobutane?
The InChIKey is OQMLAWQAWKITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-6-9(4-2)7-5-8-9/h3H,1,4-8H2,2H3.
What are the key properties of 1-ethyl-1-prop-2-enylcyclobutane?
1-ethyl-1-prop-2-enylcyclobutane 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-ethyl-1-prop-2-enylcyclobutane is sourced from PubChem (CID 123404506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).