2-nitrosohexan-1-ol

C6H13NO2 — CID 131969945

IUPAC2-nitrosohexan-1-ol
SMILESCCCCC(CO)N=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-6(5-8)7-9/h6,8H,2-5H2,1H3
InChIKeyPBSUVNGTRISYIH-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.30
Rot. Bonds5

About 2-nitrosohexan-1-ol

2-nitrosohexan-1-ol (PubChem CID 131969945) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-nitrosohexan-1-ol.

Molecular Properties

Compound Name2-nitrosohexan-1-ol
PubChem CID131969945
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-nitrosohexan-1-ol
SMILESCCCCC(CO)N=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-6(5-8)7-9/h6,8H,2-5H2,1H3
InChIKeyPBSUVNGTRISYIH-UHFFFAOYSA-N
XLogP1.30
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1,2-dinitrosohexane
CID 118601800
19-nitrosoheptatriacontane
CID 88669606
3-nitrosooctane
CID 57157162
5-nitrosooctadecan-2-ol
CID 87834682
1,2-bis(1-hydroxyhexan-2-yl)guanidine
CID 23103903
2-methylhexan-1-ol
CID 159157237
2-nonan-5-ylguanidine
CID 88763433
5-isocyanatononane
CID 153403979
disodium;bis(2-methylhexan-1-ol);sulfate
CID 173330548
(2R)-2-bromohexan-1-ol
CID 131142096
2-butyl-3-propylbutane-1,4-diol
CID 87266771
1,3-dinitrosoheptan-2-ol
CID 118873606

Frequently Asked Questions

What is the IUPAC name of 2-nitrosohexan-1-ol?
The IUPAC name of 2-nitrosohexan-1-ol (CID 131969945) is 2-nitrosohexan-1-ol.
What is the SMILES notation for 2-nitrosohexan-1-ol?
The canonical SMILES for 2-nitrosohexan-1-ol is CCCCC(CO)N=O.
What is the InChIKey of 2-nitrosohexan-1-ol?
The InChIKey is PBSUVNGTRISYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-6(5-8)7-9/h6,8H,2-5H2,1H3.
What are the key properties of 2-nitrosohexan-1-ol?
2-nitrosohexan-1-ol has a molecular weight of 131.18 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosohexan-1-ol is sourced from PubChem (CID 131969945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).