decyl 2,3-dihydroxypropyl carbonate

C14H28O5 — CID 11265856

IUPACdecyl 2,3-dihydroxypropyl carbonate
SMILESCCCCCCCCCCOC(=O)OCC(O)CO
InChIInChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-9-10-18-14(17)19-12-13(16)11-15/h13,15-16H,2-12H2,1H3
InChIKeyIGXGDVNXPKMQNI-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.63
Rot. Bonds12

About decyl 2,3-dihydroxypropyl carbonate

decyl 2,3-dihydroxypropyl carbonate (PubChem CID 11265856) has the molecular formula C14H28O5 and a molecular weight of 276.37 g/mol. Its IUPAC name is decyl 2,3-dihydroxypropyl carbonate.

Molecular Properties

Compound Namedecyl 2,3-dihydroxypropyl carbonate
PubChem CID11265856
Molecular FormulaC14H28O5
Molecular Weight276.37 g/mol
Exact Mass276.19
IUPAC Namedecyl 2,3-dihydroxypropyl carbonate
SMILESCCCCCCCCCCOC(=O)OCC(O)CO
InChIInChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-9-10-18-14(17)19-12-13(16)11-15/h13,15-16H,2-12H2,1H3
InChIKeyIGXGDVNXPKMQNI-UHFFFAOYSA-N
XLogP2.63
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropoxycarbonyl octyl carbonate
CID 88669928
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
ethanol;2-methylpropyl pentyl carbonate
CID 174542240
2-hydroxyethyl nonyl carbonate
CID 87512716
hexyl 2-hydroxyethyl carbonate
CID 57493507
2,3-dihydroxypropyl ethyl carbonate
CID 87609123
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl tetracosanoate
CID 14542801

Frequently Asked Questions

What is the IUPAC name of decyl 2,3-dihydroxypropyl carbonate?
The IUPAC name of decyl 2,3-dihydroxypropyl carbonate (CID 11265856) is decyl 2,3-dihydroxypropyl carbonate.
What is the SMILES notation for decyl 2,3-dihydroxypropyl carbonate?
The canonical SMILES for decyl 2,3-dihydroxypropyl carbonate is CCCCCCCCCCOC(=O)OCC(O)CO.
What is the InChIKey of decyl 2,3-dihydroxypropyl carbonate?
The InChIKey is IGXGDVNXPKMQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5/c1-2-3-4-5-6-7-8-9-10-18-14(17)19-12-13(16)11-15/h13,15-16H,2-12H2,1H3.
What are the key properties of decyl 2,3-dihydroxypropyl carbonate?
decyl 2,3-dihydroxypropyl carbonate has a molecular weight of 276.37 g/mol, XLogP of 2.63, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2,3-dihydroxypropyl carbonate is sourced from PubChem (CID 11265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).