(2R)-2-nitrosohexane

C6H13NO — CID 89346968

IUPAC(2R)-2-nitrosohexane
SMILESCCCC[C@@H](C)N=O
InChIInChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyWETWNGXAQSGJPA-ZCFIWIBFSA-N
MW115.18 g/mol
LogP2.33
Rot. Bonds4

About (2R)-2-nitrosohexane

(2R)-2-nitrosohexane (PubChem CID 89346968) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is (2R)-2-nitrosohexane.

Molecular Properties

Compound Name(2R)-2-nitrosohexane
PubChem CID89346968
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name(2R)-2-nitrosohexane
SMILESCCCC[C@@H](C)N=O
InChIInChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyWETWNGXAQSGJPA-ZCFIWIBFSA-N
XLogP2.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Nitrohexane
CID 536519
Nitrosocyclohexane
CID 11768540
1-Nitrosoheptane
CID 53767590
1-Nitrosopentane
CID 13740550
1-Nitrosohexane
CID 22234700
2-Nitrosooctane
CID 54233607
4-Nitrosoheptane
CID 54317012
3-Fluoro-4-nitrosoheptane
CID 122500607
Nitrosocyclopentane
CID 12124321
5-Nitrosodecane
CID 10931874
3,4-Dinitrosohexane
CID 13116314
1,2-Dinitrosohexane
CID 13116351

Frequently Asked Questions

What is the IUPAC name of (2R)-2-nitrosohexane?
The IUPAC name of (2R)-2-nitrosohexane (CID 89346968) is (2R)-2-nitrosohexane.
What is the SMILES notation for (2R)-2-nitrosohexane?
The canonical SMILES for (2R)-2-nitrosohexane is CCCC[C@@H](C)N=O.
What is the InChIKey of (2R)-2-nitrosohexane?
The InChIKey is WETWNGXAQSGJPA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H13NO/c1-3-4-5-6(2)7-8/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-2-nitrosohexane?
(2R)-2-nitrosohexane has a molecular weight of 115.18 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-nitrosohexane is sourced from PubChem (CID 89346968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).