(1-methylcyclobutyl) acetate

C7H12O2 — CID 13396130

IUPAC(1-methylcyclobutyl) acetate
SMILESCC(=O)OC1(C)CCC1
InChIInChI=1S/C7H12O2/c1-6(8)9-7(2)4-3-5-7/h3-5H2,1-2H3
InChIKeyCOECHZJTHZENSV-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.49
Rot. Bonds1

About (1-methylcyclobutyl) acetate

(1-methylcyclobutyl) acetate (PubChem CID 13396130) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is (1-methylcyclobutyl) acetate.

Molecular Properties

Compound Name(1-methylcyclobutyl) acetate
PubChem CID13396130
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name(1-methylcyclobutyl) acetate
SMILESCC(=O)OC1(C)CCC1
InChIInChI=1S/C7H12O2/c1-6(8)9-7(2)4-3-5-7/h3-5H2,1-2H3
InChIKeyCOECHZJTHZENSV-UHFFFAOYSA-N
XLogP1.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclobutyl) acetate?
The IUPAC name of (1-methylcyclobutyl) acetate (CID 13396130) is (1-methylcyclobutyl) acetate.
What is the SMILES notation for (1-methylcyclobutyl) acetate?
The canonical SMILES for (1-methylcyclobutyl) acetate is CC(=O)OC1(C)CCC1.
What is the InChIKey of (1-methylcyclobutyl) acetate?
The InChIKey is COECHZJTHZENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8)9-7(2)4-3-5-7/h3-5H2,1-2H3.
What are the key properties of (1-methylcyclobutyl) acetate?
(1-methylcyclobutyl) acetate has a molecular weight of 128.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclobutyl) acetate is sourced from PubChem (CID 13396130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).