methyl 2-acetyloxy-4-methylpentanoate

C9H16O4 — CID 14875689

IUPACmethyl 2-acetyloxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)OC(C)=O
InChIInChI=1S/C9H16O4/c1-6(2)5-8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3
InChIKeyNVOJXKTYTSSIFJ-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.14
Rot. Bonds4

About methyl 2-acetyloxy-4-methylpentanoate

methyl 2-acetyloxy-4-methylpentanoate (PubChem CID 14875689) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is methyl 2-acetyloxy-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-4-methylpentanoate
PubChem CID14875689
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Namemethyl 2-acetyloxy-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)OC(C)=O
InChIInChI=1S/C9H16O4/c1-6(2)5-8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3
InChIKeyNVOJXKTYTSSIFJ-UHFFFAOYSA-N
XLogP1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-acetyloxy-4-methylpentanoic acid
CID 71346795
methyl (2R,4R)-2,4,5-triacetyloxypentanoate
CID 11119804
dimethyl (2R)-2-acetyloxybutanedioate
CID 12723152
1-O-ethyl 5-O-methyl (2S,4S)-2-acetyl-4-acetyloxypentanedioate
CID 131862649
methyl (2S,6R)-2,6-diacetyloxyheptanoate
CID 102406465
methyl (2R)-4-methyl-2-(trifluoromethylsulfonyloxy)pentanoate
CID 11747870
dimethyl (2R,4S)-2-acetyloxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioate
CID 169193825
methyl (2S)-4-methyl-2-[(2S)-2-(1,2,4-triazol-1-yl)propanoyl]oxypentanoate
CID 97324753
2-methoxy-4-methylpentanamide
CID 130746931
propan-2-yl (2S)-2-acetyloxy-5-methylhexanoate
CID 153499614
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
(2R,3R)-2,3-diacetyloxy-4-methoxy-4-oxobutanoic acid
CID 2007459

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-4-methylpentanoate?
The IUPAC name of methyl 2-acetyloxy-4-methylpentanoate (CID 14875689) is methyl 2-acetyloxy-4-methylpentanoate.
What is the SMILES notation for methyl 2-acetyloxy-4-methylpentanoate?
The canonical SMILES for methyl 2-acetyloxy-4-methylpentanoate is COC(=O)C(CC(C)C)OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-4-methylpentanoate?
The InChIKey is NVOJXKTYTSSIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-6(2)5-8(9(11)12-4)13-7(3)10/h6,8H,5H2,1-4H3.
What are the key properties of methyl 2-acetyloxy-4-methylpentanoate?
methyl 2-acetyloxy-4-methylpentanoate has a molecular weight of 188.22 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-4-methylpentanoate is sourced from PubChem (CID 14875689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).