2-tetradecoxypropyl acetate

C19H38O3 — CID 57483200

IUPAC2-tetradecoxypropyl acetate
SMILESCCCCCCCCCCCCCCOC(C)COC(C)=O
InChIInChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(2)17-22-19(3)20/h18H,4-17H2,1-3H3
InChIKeyTTZCGGGFSCWEQW-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.66
Rot. Bonds16

About 2-tetradecoxypropyl acetate

2-tetradecoxypropyl acetate (PubChem CID 57483200) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 2-tetradecoxypropyl acetate.

Molecular Properties

Compound Name2-tetradecoxypropyl acetate
PubChem CID57483200
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name2-tetradecoxypropyl acetate
SMILESCCCCCCCCCCCCCCOC(C)COC(C)=O
InChIInChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(2)17-22-19(3)20/h18H,4-17H2,1-3H3
InChIKeyTTZCGGGFSCWEQW-UHFFFAOYSA-N
XLogP5.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.66
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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Frequently Asked Questions

What is the IUPAC name of 2-tetradecoxypropyl acetate?
The IUPAC name of 2-tetradecoxypropyl acetate (CID 57483200) is 2-tetradecoxypropyl acetate.
What is the SMILES notation for 2-tetradecoxypropyl acetate?
The canonical SMILES for 2-tetradecoxypropyl acetate is CCCCCCCCCCCCCCOC(C)COC(C)=O.
What is the InChIKey of 2-tetradecoxypropyl acetate?
The InChIKey is TTZCGGGFSCWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-21-18(2)17-22-19(3)20/h18H,4-17H2,1-3H3.
What are the key properties of 2-tetradecoxypropyl acetate?
2-tetradecoxypropyl acetate has a molecular weight of 314.51 g/mol, XLogP of 5.66, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecoxypropyl acetate is sourced from PubChem (CID 57483200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).