(1-methylcyclobutyl) propanoate

C8H14O2 — CID 130991217

IUPAC(1-methylcyclobutyl) propanoate
SMILESCCC(=O)OC1(C)CCC1
InChIInChI=1S/C8H14O2/c1-3-7(9)10-8(2)5-4-6-8/h3-6H2,1-2H3
InChIKeyJINATZIYSKYRDV-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.88
Rot. Bonds2

About (1-methylcyclobutyl) propanoate

(1-methylcyclobutyl) propanoate (PubChem CID 130991217) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is (1-methylcyclobutyl) propanoate.

Molecular Properties

Compound Name(1-methylcyclobutyl) propanoate
PubChem CID130991217
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name(1-methylcyclobutyl) propanoate
SMILESCCC(=O)OC1(C)CCC1
InChIInChI=1S/C8H14O2/c1-3-7(9)10-8(2)5-4-6-8/h3-6H2,1-2H3
InChIKeyJINATZIYSKYRDV-UHFFFAOYSA-N
XLogP1.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Trifluoromethyl)cyclobutyl] 2-methylpropanoate
CID 155710797
[1-(Trifluoromethyl)cyclobutyl] propanoate
CID 174946696
(1-Ethynylcyclobutyl) acetate
CID 101231298
1-Methylcyclobutyl acetate
CID 13396130
Tert-butyl cyclobutanecarboxylate
CID 15444481
2-Methylpentan-2-yl propanoate
CID 54117302
(1-Methylcyclobutyl) 2,2-dimethylbutanoate
CID 57945678
(1-Ethylcyclobutyl) acetate
CID 89019103
(1-Methylcyclobutyl) 2-methylpropanoate
CID 89981826
(1-Methylcyclobutyl) butanoate
CID 129067897
(1-Methylcyclobutyl) 2,2-dimethylpropanoate
CID 155647415
1-Bicyclo[1.1.1]pentanyl 2,2-dimethylpropanoate
CID 13999827

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl) propanoate?
The IUPAC name of (1-methylcyclobutyl) propanoate (CID 130991217) is (1-methylcyclobutyl) propanoate.
What is the SMILES notation for (1-methylcyclobutyl) propanoate?
The canonical SMILES for (1-methylcyclobutyl) propanoate is CCC(=O)OC1(C)CCC1.
What is the InChIKey of (1-methylcyclobutyl) propanoate?
The InChIKey is JINATZIYSKYRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-7(9)10-8(2)5-4-6-8/h3-6H2,1-2H3.
What are the key properties of (1-methylcyclobutyl) propanoate?
(1-methylcyclobutyl) propanoate has a molecular weight of 142.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl) propanoate is sourced from PubChem (CID 130991217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).