(1-methylcyclopentyl) 2-methylbutanoate

C11H20O2 — CID 18731052

IUPAC(1-methylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C11H20O2/c1-4-9(2)10(12)13-11(3)7-5-6-8-11/h9H,4-8H2,1-3H3
InChIKeyKKFITXGSYOGADJ-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.91
Rot. Bonds3

About (1-methylcyclopentyl) 2-methylbutanoate

(1-methylcyclopentyl) 2-methylbutanoate (PubChem CID 18731052) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-methylbutanoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-methylbutanoate
PubChem CID18731052
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(1-methylcyclopentyl) 2-methylbutanoate
SMILESCCC(C)C(=O)OC1(C)CCCC1
InChIInChI=1S/C11H20O2/c1-4-9(2)10(12)13-11(3)7-5-6-8-11/h9H,4-8H2,1-3H3
InChIKeyKKFITXGSYOGADJ-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-methylbutanoate?
The IUPAC name of (1-methylcyclopentyl) 2-methylbutanoate (CID 18731052) is (1-methylcyclopentyl) 2-methylbutanoate.
What is the SMILES notation for (1-methylcyclopentyl) 2-methylbutanoate?
The canonical SMILES for (1-methylcyclopentyl) 2-methylbutanoate is CCC(C)C(=O)OC1(C)CCCC1.
What is the InChIKey of (1-methylcyclopentyl) 2-methylbutanoate?
The InChIKey is KKFITXGSYOGADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-9(2)10(12)13-11(3)7-5-6-8-11/h9H,4-8H2,1-3H3.
What are the key properties of (1-methylcyclopentyl) 2-methylbutanoate?
(1-methylcyclopentyl) 2-methylbutanoate has a molecular weight of 184.28 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-methylbutanoate is sourced from PubChem (CID 18731052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).