(1-methylcyclobutyl) butanoate

C9H16O2 — CID 129067897

IUPAC(1-methylcyclobutyl) butanoate
SMILESCCCC(=O)OC1(C)CCC1
InChIInChI=1S/C9H16O2/c1-3-5-8(10)11-9(2)6-4-7-9/h3-7H2,1-2H3
InChIKeyMUJHJPPXYFJWOX-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.27
Rot. Bonds3

About (1-methylcyclobutyl) butanoate

(1-methylcyclobutyl) butanoate (PubChem CID 129067897) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1-methylcyclobutyl) butanoate.

Molecular Properties

Compound Name(1-methylcyclobutyl) butanoate
PubChem CID129067897
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1-methylcyclobutyl) butanoate
SMILESCCCC(=O)OC1(C)CCC1
InChIInChI=1S/C9H16O2/c1-3-5-8(10)11-9(2)6-4-7-9/h3-7H2,1-2H3
InChIKeyMUJHJPPXYFJWOX-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl) butanoate?
The IUPAC name of (1-methylcyclobutyl) butanoate (CID 129067897) is (1-methylcyclobutyl) butanoate.
What is the SMILES notation for (1-methylcyclobutyl) butanoate?
The canonical SMILES for (1-methylcyclobutyl) butanoate is CCCC(=O)OC1(C)CCC1.
What is the InChIKey of (1-methylcyclobutyl) butanoate?
The InChIKey is MUJHJPPXYFJWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-8(10)11-9(2)6-4-7-9/h3-7H2,1-2H3.
What are the key properties of (1-methylcyclobutyl) butanoate?
(1-methylcyclobutyl) butanoate has a molecular weight of 156.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl) butanoate is sourced from PubChem (CID 129067897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).