methyl 3-propylcyclobutane-1-carboxylate

C9H16O2 — CID 97034582

IUPACmethyl 3-propylcyclobutane-1-carboxylate
SMILESCCCC1CC(C(=O)OC)C1
InChIInChI=1S/C9H16O2/c1-3-4-7-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3
InChIKeyOPUGGGUBOBFMSQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.99
Rot. Bonds3

About methyl 3-propylcyclobutane-1-carboxylate

methyl 3-propylcyclobutane-1-carboxylate (PubChem CID 97034582) has the molecular formula C9H16O2 and a molecular weight of 156.23 g/mol. Its IUPAC name is methyl 3-propylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-propylcyclobutane-1-carboxylate
PubChem CID97034582
Molecular FormulaC9H16O2
Molecular Weight156.23 g/mol
Exact Mass156.12
IUPAC Namemethyl 3-propylcyclobutane-1-carboxylate
SMILESCCCC1CC(C(=O)OC)C1
InChIInChI=1S/C9H16O2/c1-3-4-7-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3
InChIKeyOPUGGGUBOBFMSQ-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 3-propylcyclobutane-1-carboxylate 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

methyl 4-[2-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 70376540
cis-methyl (1R,3S)-3-ethylcyclopentane-1-carboxylate
CID 129368474
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
methyl 3-(dimethylamino)cyclobutane-1-carboxylate
CID 90410277
methyl 3-(hydroxycarbamoyl)cyclobutane-1-carboxylate
CID 130678698
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
methyl 3-cyanocyclobutane-1-carboxylate
CID 73425273
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315
methyl 8-oxo-8λ4-thiabicyclo[3.2.1]octane-3-carboxylate
CID 171936315

Frequently Asked Questions

What is the IUPAC name of methyl 3-propylcyclobutane-1-carboxylate?
The IUPAC name of methyl 3-propylcyclobutane-1-carboxylate (CID 97034582) is methyl 3-propylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-propylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-propylcyclobutane-1-carboxylate is CCCC1CC(C(=O)OC)C1.
What is the InChIKey of methyl 3-propylcyclobutane-1-carboxylate?
The InChIKey is OPUGGGUBOBFMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-4-7-5-8(6-7)9(10)11-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-propylcyclobutane-1-carboxylate?
methyl 3-propylcyclobutane-1-carboxylate has a molecular weight of 156.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-propylcyclobutane-1-carboxylate is sourced from PubChem (CID 97034582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).