2-methylpentyl acetate

C8H16O2 — CID 24625

IUPAC2-methylpentyl acetate
SMILESCCCC(C)COC(C)=O
InChIInChI=1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3
InChIKeyUZTVUHTZGGZFCI-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.99
Rot. Bonds4

About 2-methylpentyl acetate

2-methylpentyl acetate (PubChem CID 24625) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2-methylpentyl acetate.

Molecular Properties

Compound Name2-methylpentyl acetate
PubChem CID24625
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2-methylpentyl acetate
SMILESCCCC(C)COC(C)=O
InChIInChI=1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3
InChIKeyUZTVUHTZGGZFCI-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl acetate?
The IUPAC name of 2-methylpentyl acetate (CID 24625) is 2-methylpentyl acetate.
What is the SMILES notation for 2-methylpentyl acetate?
The canonical SMILES for 2-methylpentyl acetate is CCCC(C)COC(C)=O.
What is the InChIKey of 2-methylpentyl acetate?
The InChIKey is UZTVUHTZGGZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-5-7(2)6-10-8(3)9/h7H,4-6H2,1-3H3.
What are the key properties of 2-methylpentyl acetate?
2-methylpentyl acetate has a molecular weight of 144.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl acetate is sourced from PubChem (CID 24625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).