1-nitropentadecan-2-ol

C15H31NO3 — CID 71389905

IUPAC1-nitropentadecan-2-ol
SMILESCCCCCCCCCCCCCC(O)C[N+](=O)[O-]
InChIInChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3
InChIKeyHXXUNBYCISCKDK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.33
Rot. Bonds14

About 1-nitropentadecan-2-ol

1-nitropentadecan-2-ol (PubChem CID 71389905) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-nitropentadecan-2-ol.

Molecular Properties

Compound Name1-nitropentadecan-2-ol
PubChem CID71389905
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name1-nitropentadecan-2-ol
SMILESCCCCCCCCCCCCCC(O)C[N+](=O)[O-]
InChIInChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3
InChIKeyHXXUNBYCISCKDK-UHFFFAOYSA-N
XLogP4.33
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.33
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-nitrotetradecan-2-ol
CID 21398670
(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-nitropentadecan-2-ol?
The IUPAC name of 1-nitropentadecan-2-ol (CID 71389905) is 1-nitropentadecan-2-ol.
What is the SMILES notation for 1-nitropentadecan-2-ol?
The canonical SMILES for 1-nitropentadecan-2-ol is CCCCCCCCCCCCCC(O)C[N+](=O)[O-].
What is the InChIKey of 1-nitropentadecan-2-ol?
The InChIKey is HXXUNBYCISCKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3.
What are the key properties of 1-nitropentadecan-2-ol?
1-nitropentadecan-2-ol has a molecular weight of 273.42 g/mol, XLogP of 4.33, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitropentadecan-2-ol is sourced from PubChem (CID 71389905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).