decyl 3-ethoxy-2,2-dimethylpropanoate

C17H34O3 — CID 175299622

IUPACdecyl 3-ethoxy-2,2-dimethylpropanoate
SMILESCCCCCCCCCCOC(=O)C(C)(C)COCC
InChIInChI=1S/C17H34O3/c1-5-7-8-9-10-11-12-13-14-20-16(18)17(3,4)15-19-6-2/h5-15H2,1-4H3
InChIKeyKMHSJTOIHCOQCX-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.73
Rot. Bonds13

About decyl 3-ethoxy-2,2-dimethylpropanoate

decyl 3-ethoxy-2,2-dimethylpropanoate (PubChem CID 175299622) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is decyl 3-ethoxy-2,2-dimethylpropanoate.

Molecular Properties

Compound Namedecyl 3-ethoxy-2,2-dimethylpropanoate
PubChem CID175299622
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Namedecyl 3-ethoxy-2,2-dimethylpropanoate
SMILESCCCCCCCCCCOC(=O)C(C)(C)COCC
InChIInChI=1S/C17H34O3/c1-5-7-8-9-10-11-12-13-14-20-16(18)17(3,4)15-19-6-2/h5-15H2,1-4H3
InChIKeyKMHSJTOIHCOQCX-UHFFFAOYSA-N
XLogP4.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tridecyl 2,2-dimethylbutanoate
CID 59651442
heptyl 2,2-dimethylpentanoate
CID 138486216
pentyl 2,2-dimethylbutanoate
CID 59940538
1-O-octyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714605
1-O-hexyl 3-O-tridecyl 2,2-dimethylpropanedioate
CID 91699185
1-O-pentadecyl 3-O-pentyl 2,2-dimethylpropanedioate
CID 91733314
1-O-heptadecyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714586
dioctyl 2,2,3,3-tetramethylbutanedioate
CID 169094094
heptadecyl 2,2-dimethylpropanoate
CID 568514
1-O-nonyl 3-O-tetradecyl 2,2-dimethylpropanedioate
CID 91714620
1-O-octyl 3-O-pentadecyl 2,2-dimethylpropanedioate
CID 91714576
CID 175569451
CID 175569451

Frequently Asked Questions

What is the IUPAC name of decyl 3-ethoxy-2,2-dimethylpropanoate?
The IUPAC name of decyl 3-ethoxy-2,2-dimethylpropanoate (CID 175299622) is decyl 3-ethoxy-2,2-dimethylpropanoate.
What is the SMILES notation for decyl 3-ethoxy-2,2-dimethylpropanoate?
The canonical SMILES for decyl 3-ethoxy-2,2-dimethylpropanoate is CCCCCCCCCCOC(=O)C(C)(C)COCC.
What is the InChIKey of decyl 3-ethoxy-2,2-dimethylpropanoate?
The InChIKey is KMHSJTOIHCOQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-5-7-8-9-10-11-12-13-14-20-16(18)17(3,4)15-19-6-2/h5-15H2,1-4H3.
What are the key properties of decyl 3-ethoxy-2,2-dimethylpropanoate?
decyl 3-ethoxy-2,2-dimethylpropanoate has a molecular weight of 286.46 g/mol, XLogP of 4.73, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 3-ethoxy-2,2-dimethylpropanoate is sourced from PubChem (CID 175299622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).