phosphane;tetradecyl nitrate

C14H32NO3P — CID 174825024

IUPACphosphane;tetradecyl nitrate
SMILESCCCCCCCCCCCCCCO[N+](=O)[O-].P
InChIInChI=1S/C14H29NO3.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;/h2-14H2,1H3;1H3
InChIKeyUBQGSQRXCHDBGH-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.95
Rot. Bonds14

About phosphane;tetradecyl nitrate

phosphane;tetradecyl nitrate (PubChem CID 174825024) has the molecular formula C14H32NO3P and a molecular weight of 293.39 g/mol. Its IUPAC name is phosphane;tetradecyl nitrate.

Molecular Properties

Compound Namephosphane;tetradecyl nitrate
PubChem CID174825024
Molecular FormulaC14H32NO3P
Molecular Weight293.39 g/mol
Exact Mass293.21
IUPAC Namephosphane;tetradecyl nitrate
SMILESCCCCCCCCCCCCCCO[N+](=O)[O-].P
InChIInChI=1S/C14H29NO3.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;/h2-14H2,1H3;1H3
InChIKeyUBQGSQRXCHDBGH-UHFFFAOYSA-N
XLogP4.95
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbutan-2-yl nitrate;pentyl nitrate
CID 174452013
6-methoxyhexyl nitrate
CID 25193534
dihexadecoxy(oxo)azanium
CID 56986039
dioctadecoxy(oxo)azanium
CID 57022761
3-nitrooxypropyl heptanoate
CID 143381439
8-hydroxyoctyl nitrate
CID 146450783
6,6-dimethylheptyl nitrate
CID 58979754
ethane;8-nitrooxyoctanoic acid
CID 173056410
5-nitrooxypentyl formate
CID 142971744
methane;11-nitrooxyundecanoic acid
CID 173491746
undec-10-enyl nitrate
CID 139910377
6-nitrooxyhexanoic acid;hydrochloride
CID 175070596

Frequently Asked Questions

What is the IUPAC name of phosphane;tetradecyl nitrate?
The IUPAC name of phosphane;tetradecyl nitrate (CID 174825024) is phosphane;tetradecyl nitrate.
What is the SMILES notation for phosphane;tetradecyl nitrate?
The canonical SMILES for phosphane;tetradecyl nitrate is CCCCCCCCCCCCCCO[N+](=O)[O-].P.
What is the InChIKey of phosphane;tetradecyl nitrate?
The InChIKey is UBQGSQRXCHDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.H3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15(16)17;/h2-14H2,1H3;1H3.
What are the key properties of phosphane;tetradecyl nitrate?
phosphane;tetradecyl nitrate has a molecular weight of 293.39 g/mol, XLogP of 4.95, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphane;tetradecyl nitrate is sourced from PubChem (CID 174825024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).