cyclobutyl 2,3-dimethylpentanoate

C11H20O2 — CID 174713613

IUPACcyclobutyl 2,3-dimethylpentanoate
SMILESCCC(C)C(C)C(=O)OC1CCC1
InChIInChI=1S/C11H20O2/c1-4-8(2)9(3)11(12)13-10-6-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyWJTLHHUZGDHFAV-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.76
Rot. Bonds4

About cyclobutyl 2,3-dimethylpentanoate

cyclobutyl 2,3-dimethylpentanoate (PubChem CID 174713613) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is cyclobutyl 2,3-dimethylpentanoate.

Molecular Properties

Compound Namecyclobutyl 2,3-dimethylpentanoate
PubChem CID174713613
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namecyclobutyl 2,3-dimethylpentanoate
SMILESCCC(C)C(C)C(=O)OC1CCC1
InChIInChI=1S/C11H20O2/c1-4-8(2)9(3)11(12)13-10-6-5-7-10/h8-10H,4-7H2,1-3H3
InChIKeyWJTLHHUZGDHFAV-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2,3-dimethylpentanoate?
The IUPAC name of cyclobutyl 2,3-dimethylpentanoate (CID 174713613) is cyclobutyl 2,3-dimethylpentanoate.
What is the SMILES notation for cyclobutyl 2,3-dimethylpentanoate?
The canonical SMILES for cyclobutyl 2,3-dimethylpentanoate is CCC(C)C(C)C(=O)OC1CCC1.
What is the InChIKey of cyclobutyl 2,3-dimethylpentanoate?
The InChIKey is WJTLHHUZGDHFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-8(2)9(3)11(12)13-10-6-5-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of cyclobutyl 2,3-dimethylpentanoate?
cyclobutyl 2,3-dimethylpentanoate has a molecular weight of 184.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2,3-dimethylpentanoate is sourced from PubChem (CID 174713613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).