(4-methyl-2-oxopentyl) acetate

C8H14O3 — CID 15013182

IUPAC(4-methyl-2-oxopentyl) acetate
SMILESCC(=O)OCC(=O)CC(C)C
InChIInChI=1S/C8H14O3/c1-6(2)4-8(10)5-11-7(3)9/h6H,4-5H2,1-3H3
InChIKeyUDABZELGNFSHNV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.16
Rot. Bonds4

About (4-methyl-2-oxopentyl) acetate

(4-methyl-2-oxopentyl) acetate (PubChem CID 15013182) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (4-methyl-2-oxopentyl) acetate.

Molecular Properties

Compound Name(4-methyl-2-oxopentyl) acetate
PubChem CID15013182
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(4-methyl-2-oxopentyl) acetate
SMILESCC(=O)OCC(=O)CC(C)C
InChIInChI=1S/C8H14O3/c1-6(2)4-8(10)5-11-7(3)9/h6H,4-5H2,1-3H3
InChIKeyUDABZELGNFSHNV-UHFFFAOYSA-N
XLogP1.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 537682
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CID 13129857
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CID 88406
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CID 546077
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CID 14932334
CID 14932334
CID 13108539
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CID 13353652
CID 13353652
CID 18370816
CID 18370816
CID 10511871
CID 10511871
CID 10702419
CID 10702419
CID 117716
CID 117716
CID 539070
CID 539070

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-oxopentyl) acetate?
The IUPAC name of (4-methyl-2-oxopentyl) acetate (CID 15013182) is (4-methyl-2-oxopentyl) acetate.
What is the SMILES notation for (4-methyl-2-oxopentyl) acetate?
The canonical SMILES for (4-methyl-2-oxopentyl) acetate is CC(=O)OCC(=O)CC(C)C.
What is the InChIKey of (4-methyl-2-oxopentyl) acetate?
The InChIKey is UDABZELGNFSHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-6(2)4-8(10)5-11-7(3)9/h6H,4-5H2,1-3H3.
What are the key properties of (4-methyl-2-oxopentyl) acetate?
(4-methyl-2-oxopentyl) acetate has a molecular weight of 158.20 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-oxopentyl) acetate is sourced from PubChem (CID 15013182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).