2,2-dimethylpropyl tetradecanoate

C19H38O2 — CID 14402139

IUPAC2,2-dimethylpropyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(C)(C)C
InChIInChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17-19(2,3)4/h5-17H2,1-4H3
InChIKeyVUDOAEVYGXSOME-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.28
Rot. Bonds13

About 2,2-dimethylpropyl tetradecanoate

2,2-dimethylpropyl tetradecanoate (PubChem CID 14402139) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2,2-dimethylpropyl tetradecanoate.

Molecular Properties

Compound Name2,2-dimethylpropyl tetradecanoate
PubChem CID14402139
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name2,2-dimethylpropyl tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(C)(C)C
InChIInChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17-19(2,3)4/h5-17H2,1-4H3
InChIKeyVUDOAEVYGXSOME-UHFFFAOYSA-N
XLogP6.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-O-(2,2-dimethylpropyl) 1-O-heptyl decanedioate
CID 91728782
(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
5-O-(2,2-dimethylpropyl) 1-O-tetradecyl pentanedioate
CID 91706597
[2-methyl-3-pentadecanoyloxy-2-(pentadecanoyloxymethyl)propyl] pentadecanoate
CID 102240326
[3-henicosanoyloxy-2,2-bis(henicosanoyloxymethyl)propyl] henicosanoate
CID 87609533
[3-icosanoyloxy-2,2-bis(icosanoyloxymethyl)propyl] icosanoate
CID 22892372
[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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl tetradecanoate?
The IUPAC name of 2,2-dimethylpropyl tetradecanoate (CID 14402139) is 2,2-dimethylpropyl tetradecanoate.
What is the SMILES notation for 2,2-dimethylpropyl tetradecanoate?
The canonical SMILES for 2,2-dimethylpropyl tetradecanoate is CCCCCCCCCCCCCC(=O)OCC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropyl tetradecanoate?
The InChIKey is VUDOAEVYGXSOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-18(20)21-17-19(2,3)4/h5-17H2,1-4H3.
What are the key properties of 2,2-dimethylpropyl tetradecanoate?
2,2-dimethylpropyl tetradecanoate has a molecular weight of 298.51 g/mol, XLogP of 6.28, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl tetradecanoate is sourced from PubChem (CID 14402139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).