2-ethylhexyl tetradecyl carbonate

C23H46O3 — CID 91693130

IUPAC2-ethylhexyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C23H46O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-25-23(24)26-21-22(6-3)19-8-5-2/h22H,4-21H2,1-3H3
InChIKeyUNPSFFUCGOGEQX-UHFFFAOYSA-N
MW370.62 g/mol
LogP8.06
Rot. Bonds19

About 2-ethylhexyl tetradecyl carbonate

2-ethylhexyl tetradecyl carbonate (PubChem CID 91693130) has the molecular formula C23H46O3 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-ethylhexyl tetradecyl carbonate.

Molecular Properties

Compound Name2-ethylhexyl tetradecyl carbonate
PubChem CID91693130
Molecular FormulaC23H46O3
Molecular Weight370.62 g/mol
Exact Mass370.34
IUPAC Name2-ethylhexyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C23H46O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-25-23(24)26-21-22(6-3)19-8-5-2/h22H,4-21H2,1-3H3
InChIKeyUNPSFFUCGOGEQX-UHFFFAOYSA-N
XLogP8.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 58.06
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-ethylhexyl tetradecyl carbonate?
The IUPAC name of 2-ethylhexyl tetradecyl carbonate (CID 91693130) is 2-ethylhexyl tetradecyl carbonate.
What is the SMILES notation for 2-ethylhexyl tetradecyl carbonate?
The canonical SMILES for 2-ethylhexyl tetradecyl carbonate is CCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl tetradecyl carbonate?
The InChIKey is UNPSFFUCGOGEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-20-25-23(24)26-21-22(6-3)19-8-5-2/h22H,4-21H2,1-3H3.
What are the key properties of 2-ethylhexyl tetradecyl carbonate?
2-ethylhexyl tetradecyl carbonate has a molecular weight of 370.62 g/mol, XLogP of 8.06, 19 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl tetradecyl carbonate is sourced from PubChem (CID 91693130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).