14-propanoyloxytetradecyl propanoate

C20H38O4 — CID 100931915

IUPAC14-propanoyloxytetradecyl propanoate
SMILESCCC(=O)OCCCCCCCCCCCCCCOC(=O)CC
InChIInChI=1S/C20H38O4/c1-3-19(21)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-20(22)4-2/h3-18H2,1-2H3
InChIKeyCBRDOGCZDBBLJP-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.57
Rot. Bonds17

About 14-propanoyloxytetradecyl propanoate

14-propanoyloxytetradecyl propanoate (PubChem CID 100931915) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is 14-propanoyloxytetradecyl propanoate.

Molecular Properties

Compound Name14-propanoyloxytetradecyl propanoate
PubChem CID100931915
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Name14-propanoyloxytetradecyl propanoate
SMILESCCC(=O)OCCCCCCCCCCCCCCOC(=O)CC
InChIInChI=1S/C20H38O4/c1-3-19(21)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-20(22)4-2/h3-18H2,1-2H3
InChIKeyCBRDOGCZDBBLJP-UHFFFAOYSA-N
XLogP5.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.52
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-hydroxynonyl propanoate
CID 90020173
pentyl propanoate;hydrofluoride
CID 174645674
octyl propanoate;propanoic acid
CID 87090257
4-iodobutyl propanoate
CID 11780110
4-propanoyloxybutyl propanoate
CID 58069301
azane;dodecyl propanoate;propanoic acid
CID 87327250
12-oxo-12-(10-propanoyloxydecoxy)dodecanoic acid
CID 118033576
3-aminopropyl propanoate;hydrochloride
CID 91621397
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-dodec-7-enyl] propanoate
CID 56935984
undec-8-ynyl propanoate
CID 132532033
2,2-bis(hydroxymethyl)propane-1,3-diol;decyl propanoate
CID 158250624

Frequently Asked Questions

What is the IUPAC name of 14-propanoyloxytetradecyl propanoate?
The IUPAC name of 14-propanoyloxytetradecyl propanoate (CID 100931915) is 14-propanoyloxytetradecyl propanoate.
What is the SMILES notation for 14-propanoyloxytetradecyl propanoate?
The canonical SMILES for 14-propanoyloxytetradecyl propanoate is CCC(=O)OCCCCCCCCCCCCCCOC(=O)CC.
What is the InChIKey of 14-propanoyloxytetradecyl propanoate?
The InChIKey is CBRDOGCZDBBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-3-19(21)23-17-15-13-11-9-7-5-6-8-10-12-14-16-18-24-20(22)4-2/h3-18H2,1-2H3.
What are the key properties of 14-propanoyloxytetradecyl propanoate?
14-propanoyloxytetradecyl propanoate has a molecular weight of 342.52 g/mol, XLogP of 5.57, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-propanoyloxytetradecyl propanoate is sourced from PubChem (CID 100931915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).