2-ethylhexyl pentadecyl carbonate

C24H48O3 — CID 91693131

IUPAC2-ethylhexyl pentadecyl carbonate
SMILESCCCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-24(25)27-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
InChIKeySNBTXLPEEZOVJY-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.45
Rot. Bonds20

About 2-ethylhexyl pentadecyl carbonate

2-ethylhexyl pentadecyl carbonate (PubChem CID 91693131) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-ethylhexyl pentadecyl carbonate.

Molecular Properties

Compound Name2-ethylhexyl pentadecyl carbonate
PubChem CID91693131
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name2-ethylhexyl pentadecyl carbonate
SMILESCCCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC
InChIInChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-24(25)27-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3
InChIKeySNBTXLPEEZOVJY-UHFFFAOYSA-N
XLogP8.45
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.45
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

ethyl 2-ethylhexyl carbonate
CID 54194012
heptyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646322
4-bromobutyl 2-hexyldecyl carbonate
CID 171061828
octyl N-(2-ethylhexoxycarbonylimino)carbamate
CID 140646226
1-O-dodecyl 5-O-(2-ethylhexyl) pentanedioate
CID 91707746
bis(2-ethylhexyl) decanedioate;dinonyl hexanedioate
CID 23616703
7-O-(2-ethylhexyl) 1-O-tetradecyl heptanedioate
CID 91717937
6-O-(2-ethylhexyl) 1-O-tetradecyl hexanedioate
CID 91713297
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
1-O-(2-ethylhexyl) 3-O-hexadecyl 2,2-dimethylpropanedioate
CID 91714525
2-ethylhexyl prop-2-enoate;heptyl prop-2-enoate
CID 19881997
2-ethylhexyl prop-2-enoate;hexyl prop-2-enoate
CID 87522127

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl pentadecyl carbonate?
The IUPAC name of 2-ethylhexyl pentadecyl carbonate (CID 91693131) is 2-ethylhexyl pentadecyl carbonate.
What is the SMILES notation for 2-ethylhexyl pentadecyl carbonate?
The canonical SMILES for 2-ethylhexyl pentadecyl carbonate is CCCCCCCCCCCCCCCOC(=O)OCC(CC)CCCC.
What is the InChIKey of 2-ethylhexyl pentadecyl carbonate?
The InChIKey is SNBTXLPEEZOVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-21-26-24(25)27-22-23(6-3)20-8-5-2/h23H,4-22H2,1-3H3.
What are the key properties of 2-ethylhexyl pentadecyl carbonate?
2-ethylhexyl pentadecyl carbonate has a molecular weight of 384.65 g/mol, XLogP of 8.45, 20 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl pentadecyl carbonate is sourced from PubChem (CID 91693131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).