2-nitrodecan-3-ol

C10H21NO3 — CID 11629807

IUPAC2-nitrodecan-3-ol
SMILESCCCCCCCC(O)C(C)[N+](=O)[O-]
InChIInChI=1S/C10H21NO3/c1-3-4-5-6-7-8-10(12)9(2)11(13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyQADJRBMRBIAWFT-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.37
Rot. Bonds8

About 2-nitrodecan-3-ol

2-nitrodecan-3-ol (PubChem CID 11629807) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-nitrodecan-3-ol.

Molecular Properties

Compound Name2-nitrodecan-3-ol
PubChem CID11629807
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-nitrodecan-3-ol
SMILESCCCCCCCC(O)C(C)[N+](=O)[O-]
InChIInChI=1S/C10H21NO3/c1-3-4-5-6-7-8-10(12)9(2)11(13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyQADJRBMRBIAWFT-UHFFFAOYSA-N
XLogP2.37
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.37
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

(3S)-2-nitroundecan-3-ol
CID 57066249
(3R)-2-nitroheptan-3-ol
CID 57225952
(6R,7S)-6-nitrooctadecan-7-ol
CID 15531598
(4R,5R)-2-methyl-4-nitrotridecan-5-ol
CID 15531597
nonacosane-14,15-diol
CID 91509633
(2R,3S)-2-nitrooctane-1,3-diol
CID 15203325
6,9,12-trinitroicosane-7,10,13-triol
CID 141354802
2-nitropentadecane
CID 87201105
acetic acid;2-nitrohexan-3-ol
CID 57348377
(2R,3S)-dodecane-2,3-diol
CID 163394646
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2R)-1-nitrononan-2-ol
CID 24866074

Frequently Asked Questions

What is the IUPAC name of 2-nitrodecan-3-ol?
The IUPAC name of 2-nitrodecan-3-ol (CID 11629807) is 2-nitrodecan-3-ol.
What is the SMILES notation for 2-nitrodecan-3-ol?
The canonical SMILES for 2-nitrodecan-3-ol is CCCCCCCC(O)C(C)[N+](=O)[O-].
What is the InChIKey of 2-nitrodecan-3-ol?
The InChIKey is QADJRBMRBIAWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-3-4-5-6-7-8-10(12)9(2)11(13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-nitrodecan-3-ol?
2-nitrodecan-3-ol has a molecular weight of 203.28 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrodecan-3-ol is sourced from PubChem (CID 11629807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).