1-nitrotetradecan-2-ol

C14H29NO3 — CID 21398670

IUPAC1-nitrotetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)C[N+](=O)[O-]
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3
InChIKeyZZLLZPMIXXORKL-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.93
Rot. Bonds13

About 1-nitrotetradecan-2-ol

1-nitrotetradecan-2-ol (PubChem CID 21398670) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-nitrotetradecan-2-ol.

Molecular Properties

Compound Name1-nitrotetradecan-2-ol
PubChem CID21398670
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-nitrotetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)C[N+](=O)[O-]
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3
InChIKeyZZLLZPMIXXORKL-UHFFFAOYSA-N
XLogP3.93
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
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'}

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Related Compounds

(2R)-1-nitrononan-2-ol
CID 24866074
1-nitropentadecan-2-ol
CID 71389905
(6E,9E,12E,15E)-1-nitrohenicosa-6,9,12,15-tetraen-2-ol
CID 22344850
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
2-nitrodecan-3-ol
CID 11629807

Frequently Asked Questions

What is the IUPAC name of 1-nitrotetradecan-2-ol?
The IUPAC name of 1-nitrotetradecan-2-ol (CID 21398670) is 1-nitrotetradecan-2-ol.
What is the SMILES notation for 1-nitrotetradecan-2-ol?
The canonical SMILES for 1-nitrotetradecan-2-ol is CCCCCCCCCCCCC(O)C[N+](=O)[O-].
What is the InChIKey of 1-nitrotetradecan-2-ol?
The InChIKey is ZZLLZPMIXXORKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18/h14,16H,2-13H2,1H3.
What are the key properties of 1-nitrotetradecan-2-ol?
1-nitrotetradecan-2-ol has a molecular weight of 259.39 g/mol, XLogP of 3.93, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitrotetradecan-2-ol is sourced from PubChem (CID 21398670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).