2-methyl-2-nitropentadecan-1-ol

C16H33NO3 — CID 87201114

IUPAC2-methyl-2-nitropentadecan-1-ol
SMILESCCCCCCCCCCCCCC(C)(CO)[N+](=O)[O-]
InChIInChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2,15-18)17(19)20/h18H,3-15H2,1-2H3
InChIKeyPHIUQQMIZMXQCL-UHFFFAOYSA-N
MW287.44 g/mol
LogP4.72
Rot. Bonds14

About 2-methyl-2-nitropentadecan-1-ol

2-methyl-2-nitropentadecan-1-ol (PubChem CID 87201114) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is 2-methyl-2-nitropentadecan-1-ol.

Molecular Properties

Compound Name2-methyl-2-nitropentadecan-1-ol
PubChem CID87201114
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name2-methyl-2-nitropentadecan-1-ol
SMILESCCCCCCCCCCCCCC(C)(CO)[N+](=O)[O-]
InChIInChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2,15-18)17(19)20/h18H,3-15H2,1-2H3
InChIKeyPHIUQQMIZMXQCL-UHFFFAOYSA-N
XLogP4.72
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 54.72
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

2-methyl-2-nitrooctadecan-1-ol;nitric acid
CID 88682090
(2-methyl-2-nitrooctadecyl) nitrate
CID 54384772
2-hexyl-2-nitrononan-1-ol
CID 87201075
2-nitro-2-propyloctan-1-ol
CID 87201120
2-nitro-2-pentylheptan-1-ol
CID 87201094
2-butyl-2-nitroheptan-1-ol
CID 87201188
2-ethyl-2-nitrooctan-1-ol;nitric acid
CID 88722993
2,2,3,3-tetrabromooctan-1-ol
CID 141280885
2-fluoro-2-methylhexadecan-1-ol
CID 139634379
2-methyl-2-octyltridecan-1-ol
CID 138517447
2-dodecyl-2-methylhexadecan-1-ol
CID 138503707
2-methyl-2-pentylnonan-1-ol
CID 138503898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nitropentadecan-1-ol?
The IUPAC name of 2-methyl-2-nitropentadecan-1-ol (CID 87201114) is 2-methyl-2-nitropentadecan-1-ol.
What is the SMILES notation for 2-methyl-2-nitropentadecan-1-ol?
The canonical SMILES for 2-methyl-2-nitropentadecan-1-ol is CCCCCCCCCCCCCC(C)(CO)[N+](=O)[O-].
What is the InChIKey of 2-methyl-2-nitropentadecan-1-ol?
The InChIKey is PHIUQQMIZMXQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(2,15-18)17(19)20/h18H,3-15H2,1-2H3.
What are the key properties of 2-methyl-2-nitropentadecan-1-ol?
2-methyl-2-nitropentadecan-1-ol has a molecular weight of 287.44 g/mol, XLogP of 4.72, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nitropentadecan-1-ol is sourced from PubChem (CID 87201114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).