(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate

C10H18O4 — CID 126705697

IUPAC(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
SMILESCOCC(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(9(12)10(2,3)4)14-8(11)6-13-5/h7H,6H2,1-5H3
InChIKeyDASVYRRQUUFRIN-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.18
Rot. Bonds4

About (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate

(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate (PubChem CID 126705697) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate.

Molecular Properties

Compound Name(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
PubChem CID126705697
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate
SMILESCOCC(=O)OC(C)C(=O)C(C)(C)C
InChIInChI=1S/C10H18O4/c1-7(9(12)10(2,3)4)14-8(11)6-13-5/h7H,6H2,1-5H3
InChIKeyDASVYRRQUUFRIN-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
[3-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-oxopropyl] 2-acetyloxypropanoate
CID 153317884
methane;3-methylbutan-2-yl 2-methoxyacetate
CID 162010174
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 87160018
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-methoxyacetate
CID 8018761
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 7776019
[1-(4,4-dimethyl-3-oxopentan-2-yl)oxy-1-oxopropan-2-yl] 2-methylpropanoate
CID 126705693
1-(2-methoxyacetyl)oxyethyl 2-hydroxyacetate
CID 176891960
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-methoxyacetate
CID 8015315
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-methoxyacetate
CID 42970369
[(2S)-1-(dimethylamino)propan-2-yl] 2-methoxyacetate
CID 155111213

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate?
The IUPAC name of (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate (CID 126705697) is (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate.
What is the SMILES notation for (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate?
The canonical SMILES for (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate is COCC(=O)OC(C)C(=O)C(C)(C)C.
What is the InChIKey of (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate?
The InChIKey is DASVYRRQUUFRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(9(12)10(2,3)4)14-8(11)6-13-5/h7H,6H2,1-5H3.
What are the key properties of (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate?
(4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate has a molecular weight of 202.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-3-oxopentan-2-yl) 2-methoxyacetate is sourced from PubChem (CID 126705697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).