azane;hydroxy pentyl carbonate

C6H15NO4 — CID 129188902

IUPACazane;hydroxy pentyl carbonate
SMILESCCCCCOC(=O)OO.N
InChIInChI=1S/C6H12O4.H3N/c1-2-3-4-5-9-6(7)10-8;/h8H,2-5H2,1H3;1H3
InChIKeyLJGBTJBUKKKUJK-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.96
Rot. Bonds4

About azane;hydroxy pentyl carbonate

azane;hydroxy pentyl carbonate (PubChem CID 129188902) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is azane;hydroxy pentyl carbonate.

Molecular Properties

Compound Nameazane;hydroxy pentyl carbonate
PubChem CID129188902
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Nameazane;hydroxy pentyl carbonate
SMILESCCCCCOC(=O)OO.N
InChIInChI=1S/C6H12O4.H3N/c1-2-3-4-5-9-6(7)10-8;/h8H,2-5H2,1H3;1H3
InChIKeyLJGBTJBUKKKUJK-UHFFFAOYSA-N
XLogP1.96
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

hydroxy pentyl carbonate
CID 19883801
azane;dioctyl carbonate
CID 174626203
heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
butyl pentyl carbonate
CID 545576
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;methyl tetradecyl carbonate
CID 118914581
hexoxycarbonyl hexyl carbonate
CID 18974231
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
chloro hexyl carbonate
CID 90046740
ethyl tetradecyl carbonate
CID 6421505

Frequently Asked Questions

What is the IUPAC name of azane;hydroxy pentyl carbonate?
The IUPAC name of azane;hydroxy pentyl carbonate (CID 129188902) is azane;hydroxy pentyl carbonate.
What is the SMILES notation for azane;hydroxy pentyl carbonate?
The canonical SMILES for azane;hydroxy pentyl carbonate is CCCCCOC(=O)OO.N.
What is the InChIKey of azane;hydroxy pentyl carbonate?
The InChIKey is LJGBTJBUKKKUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4.H3N/c1-2-3-4-5-9-6(7)10-8;/h8H,2-5H2,1H3;1H3.
What are the key properties of azane;hydroxy pentyl carbonate?
azane;hydroxy pentyl carbonate has a molecular weight of 165.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxy pentyl carbonate is sourced from PubChem (CID 129188902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).