(2,2-dimethyl-3-oxopropyl) decanoate

C15H28O3 — CID 88537299

IUPAC(2,2-dimethyl-3-oxopropyl) decanoate
SMILESCCCCCCCCCC(=O)OCC(C)(C)C=O
InChIInChI=1S/C15H28O3/c1-4-5-6-7-8-9-10-11-14(17)18-13-15(2,3)12-16/h12H,4-11,13H2,1-3H3
InChIKeyYSKBYQIERGOBPX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.90
Rot. Bonds11

About (2,2-dimethyl-3-oxopropyl) decanoate

(2,2-dimethyl-3-oxopropyl) decanoate (PubChem CID 88537299) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2,2-dimethyl-3-oxopropyl) decanoate.

Molecular Properties

Compound Name(2,2-dimethyl-3-oxopropyl) decanoate
PubChem CID88537299
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2,2-dimethyl-3-oxopropyl) decanoate
SMILESCCCCCCCCCC(=O)OCC(C)(C)C=O
InChIInChI=1S/C15H28O3/c1-4-5-6-7-8-9-10-11-14(17)18-13-15(2,3)12-16/h12H,4-11,13H2,1-3H3
InChIKeyYSKBYQIERGOBPX-UHFFFAOYSA-N
XLogP3.90
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2,2-dimethyl-3-octanoyloxypropyl) dodecanoate
CID 177419977
(2,2-dimethyl-3-nonanoyloxypropyl) decanoate
CID 123293931
(3-heptanoyloxy-2,2-dimethylpropyl) dodecanoate
CID 177474266
(2,2-dimethyl-3-tetradecanoyloxypropyl) tetradecanoate
CID 23049745
(2,2-dimethyl-3-octanoyloxypropyl) decanoate
CID 22565008
2,2-dimethylpropyl tetradecanoate
CID 14402139
[2-methyl-3-pentadecanoyloxy-2-(pentadecanoyloxymethyl)propyl] pentadecanoate
CID 102240326
[3-hexadecanoyloxy-2,2-bis(hexadecanoyloxymethyl)propyl] hexadecanoate;[3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate
CID 44630444
[3-hexadecanoyloxy-2,2-bis(hexadecanoyloxymethyl)propyl] hexadecanoate
CID 12897003
[3-henicosanoyloxy-2,2-bis(henicosanoyloxymethyl)propyl] henicosanoate
CID 87609533
[3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] icosanoate
CID 22892372
(2-decyl-2-methyltetradecyl) dodecanoate
CID 138503814

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3-oxopropyl) decanoate?
The IUPAC name of (2,2-dimethyl-3-oxopropyl) decanoate (CID 88537299) is (2,2-dimethyl-3-oxopropyl) decanoate.
What is the SMILES notation for (2,2-dimethyl-3-oxopropyl) decanoate?
The canonical SMILES for (2,2-dimethyl-3-oxopropyl) decanoate is CCCCCCCCCC(=O)OCC(C)(C)C=O.
What is the InChIKey of (2,2-dimethyl-3-oxopropyl) decanoate?
The InChIKey is YSKBYQIERGOBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O3/c1-4-5-6-7-8-9-10-11-14(17)18-13-15(2,3)12-16/h12H,4-11,13H2,1-3H3.
What are the key properties of (2,2-dimethyl-3-oxopropyl) decanoate?
(2,2-dimethyl-3-oxopropyl) decanoate has a molecular weight of 256.39 g/mol, XLogP of 3.90, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3-oxopropyl) decanoate is sourced from PubChem (CID 88537299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).