azane;methyl tetradecyl carbonate

C16H35NO3 — CID 118914581

IUPACazane;methyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OC.N
InChIInChI=1S/C16H32O3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16(17)18-2;/h3-15H2,1-2H3;1H3
InChIKeyULSDURLWFLMRRK-UHFFFAOYSA-N
MW289.46 g/mol
LogP5.63
Rot. Bonds13

About azane;methyl tetradecyl carbonate

azane;methyl tetradecyl carbonate (PubChem CID 118914581) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is azane;methyl tetradecyl carbonate.

Molecular Properties

Compound Nameazane;methyl tetradecyl carbonate
PubChem CID118914581
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Nameazane;methyl tetradecyl carbonate
SMILESCCCCCCCCCCCCCCOC(=O)OC.N
InChIInChI=1S/C16H32O3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16(17)18-2;/h3-15H2,1-2H3;1H3
InChIKeyULSDURLWFLMRRK-UHFFFAOYSA-N
XLogP5.63
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;dioctyl carbonate
CID 174626203
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
hexoxycarbonyl hexyl carbonate
CID 18974231
1-O-heptyl 3-O-methyl 2-methylpropanedioate
CID 57077304
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524

Frequently Asked Questions

What is the IUPAC name of azane;methyl tetradecyl carbonate?
The IUPAC name of azane;methyl tetradecyl carbonate (CID 118914581) is azane;methyl tetradecyl carbonate.
What is the SMILES notation for azane;methyl tetradecyl carbonate?
The canonical SMILES for azane;methyl tetradecyl carbonate is CCCCCCCCCCCCCCOC(=O)OC.N.
What is the InChIKey of azane;methyl tetradecyl carbonate?
The InChIKey is ULSDURLWFLMRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3.H3N/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16(17)18-2;/h3-15H2,1-2H3;1H3.
What are the key properties of azane;methyl tetradecyl carbonate?
azane;methyl tetradecyl carbonate has a molecular weight of 289.46 g/mol, XLogP of 5.63, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl tetradecyl carbonate is sourced from PubChem (CID 118914581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).