methyl 2-acetyloxy-2,4-dimethylpentanoate

C10H18O4 — CID 166684864

IUPACmethyl 2-acetyloxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-7(2)6-10(4,9(12)13-5)14-8(3)11/h7H,6H2,1-5H3
InChIKeyJDXVACBMNUSSFR-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.53
Rot. Bonds4

About methyl 2-acetyloxy-2,4-dimethylpentanoate

methyl 2-acetyloxy-2,4-dimethylpentanoate (PubChem CID 166684864) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 2-acetyloxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2,4-dimethylpentanoate
PubChem CID166684864
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Namemethyl 2-acetyloxy-2,4-dimethylpentanoate
SMILESCOC(=O)C(C)(CC(C)C)OC(C)=O
InChIInChI=1S/C10H18O4/c1-7(2)6-10(4,9(12)13-5)14-8(3)11/h7H,6H2,1-5H3
InChIKeyJDXVACBMNUSSFR-UHFFFAOYSA-N
XLogP1.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
dimethyl 2-acetyloxy-2-methylpropanedioate
CID 87273644
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502
methyl 2-amino-4-methyl-2-(2-methylpropyl)pentanoate
CID 114868075
3-O-tert-butyl 1-O-methyl 2-amino-2-(2-methylpropyl)propanedioate
CID 142841026
methyl 4-methyl-2-propan-2-yl-2-(trifluoromethyl)pentanoate
CID 90268343
methyl 2,2-dimethylpropanoate;2-methylpropan-1-ol
CID 87522003
methyl 2-ethyl-3,3-dimethyl-2-(2-methylpropyl)pentanoate
CID 88933353
methyl 4-acetyloxy-2,2,4-trimethylpentanoate
CID 153354555
2,4-dimethyloctan-4-yl acetate
CID 13307726
dimethyl 2-(4-methylpentyl)-2-(2-methylpropyl)propanedioate
CID 139692173
tert-butyl 2,2,4-trimethylpentanoate
CID 91303202

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2,4-dimethylpentanoate?
The IUPAC name of methyl 2-acetyloxy-2,4-dimethylpentanoate (CID 166684864) is methyl 2-acetyloxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl 2-acetyloxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl 2-acetyloxy-2,4-dimethylpentanoate is COC(=O)C(C)(CC(C)C)OC(C)=O.
What is the InChIKey of methyl 2-acetyloxy-2,4-dimethylpentanoate?
The InChIKey is JDXVACBMNUSSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)6-10(4,9(12)13-5)14-8(3)11/h7H,6H2,1-5H3.
What are the key properties of methyl 2-acetyloxy-2,4-dimethylpentanoate?
methyl 2-acetyloxy-2,4-dimethylpentanoate has a molecular weight of 202.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2,4-dimethylpentanoate is sourced from PubChem (CID 166684864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).