azane;dioctyl carbonate

C17H37NO3 — CID 174626203

IUPACazane;dioctyl carbonate
SMILESCCCCCCCCOC(=O)OCCCCCCCC.N
InChIInChI=1S/C17H34O3.H3N/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H3
InChIKeySZULMZLBRAMYAD-UHFFFAOYSA-N
MW303.49 g/mol
LogP6.02
Rot. Bonds14

About azane;dioctyl carbonate

azane;dioctyl carbonate (PubChem CID 174626203) has the molecular formula C17H37NO3 and a molecular weight of 303.49 g/mol. Its IUPAC name is azane;dioctyl carbonate.

Molecular Properties

Compound Nameazane;dioctyl carbonate
PubChem CID174626203
Molecular FormulaC17H37NO3
Molecular Weight303.49 g/mol
Exact Mass303.28
IUPAC Nameazane;dioctyl carbonate
SMILESCCCCCCCCOC(=O)OCCCCCCCC.N
InChIInChI=1S/C17H34O3.H3N/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H3
InChIKeySZULMZLBRAMYAD-UHFFFAOYSA-N
XLogP6.02
TPSA70.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 56.02
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

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
butyl pentyl carbonate
CID 545576
ethyl heptadecyl carbonate
CID 6421524
ethyl tetradecyl carbonate
CID 6421505
2-hydroxyethyl nonyl carbonate
CID 87512716
azane;methyl tetradecyl carbonate
CID 118914581
hexyl 2-hydroxyethyl carbonate
CID 57493507
hexoxycarbonyl hexyl carbonate
CID 18974231

Frequently Asked Questions

What is the IUPAC name of azane;dioctyl carbonate?
The IUPAC name of azane;dioctyl carbonate (CID 174626203) is azane;dioctyl carbonate.
What is the SMILES notation for azane;dioctyl carbonate?
The canonical SMILES for azane;dioctyl carbonate is CCCCCCCCOC(=O)OCCCCCCCC.N.
What is the InChIKey of azane;dioctyl carbonate?
The InChIKey is SZULMZLBRAMYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3.H3N/c1-3-5-7-9-11-13-15-19-17(18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3;1H3.
What are the key properties of azane;dioctyl carbonate?
azane;dioctyl carbonate has a molecular weight of 303.49 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dioctyl carbonate is sourced from PubChem (CID 174626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).