(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate

C10H18O4 — CID 58877449

IUPAC(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate
SMILESCCC(=O)OCOC(C)(C)C(=O)CC
InChIInChI=1S/C10H18O4/c1-5-8(11)10(3,4)14-7-13-9(12)6-2/h5-7H2,1-4H3
InChIKeyUCNJAOWMCQLAFV-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.67
Rot. Bonds6

About (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate

(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate (PubChem CID 58877449) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate.

Molecular Properties

Compound Name(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate
PubChem CID58877449
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate
SMILESCCC(=O)OCOC(C)(C)C(=O)CC
InChIInChI=1S/C10H18O4/c1-5-8(11)10(3,4)14-7-13-9(12)6-2/h5-7H2,1-4H3
InChIKeyUCNJAOWMCQLAFV-UHFFFAOYSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(propanoyloxymethyl) heptanedioate
CID 90973893
[2-methyl-2-(propanoyloxymethyl)butyl] propanoate
CID 89167745
ethyl propanoate;methane
CID 161360642
alumane;ethyl propanoate
CID 174257559
(3,3,3-trihydroxy-2,2-dimethylpropyl) propanoate
CID 174818490
2,2,2-triaminoethyl propanoate
CID 163440168
2,2-diethoxypentan-3-one
CID 163406008
[(2-methylpropan-2-yl)oxy-(propanoyloxymethoxy)phosphoryl]oxymethyl propanoate
CID 122697879
[(2S)-2,3-diamino-2-methyl-3-oxopropyl] propanoate
CID 174658877
(3-acetyloxy-2,2-dimethylpropyl) propanoate
CID 20633683
calcium;ethyl propanoate;hydride
CID 173132885
ethyl propanoate;titanium(4+);tetrachloride
CID 173205872

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate?
The IUPAC name of (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate (CID 58877449) is (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate.
What is the SMILES notation for (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate?
The canonical SMILES for (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate is CCC(=O)OCOC(C)(C)C(=O)CC.
What is the InChIKey of (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate?
The InChIKey is UCNJAOWMCQLAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-5-8(11)10(3,4)14-7-13-9(12)6-2/h5-7H2,1-4H3.
What are the key properties of (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate?
(2-methyl-3-oxopentan-2-yl)oxymethyl propanoate has a molecular weight of 202.25 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxopentan-2-yl)oxymethyl propanoate is sourced from PubChem (CID 58877449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).