3-chloro-2-nitrosohexane

C6H12ClNO — CID 24821132

IUPAC3-chloro-2-nitrosohexane
SMILESCCCC(Cl)C(C)N=O
InChIInChI=1S/C6H12ClNO/c1-3-4-6(7)5(2)8-9/h5-6H,3-4H2,1-2H3
InChIKeyNRPWPCUWKQBMIG-UHFFFAOYSA-N
MW149.62 g/mol
LogP2.55
Rot. Bonds4

About 3-chloro-2-nitrosohexane

3-chloro-2-nitrosohexane (PubChem CID 24821132) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-chloro-2-nitrosohexane.

Molecular Properties

Compound Name3-chloro-2-nitrosohexane
PubChem CID24821132
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-chloro-2-nitrosohexane
SMILESCCCC(Cl)C(C)N=O
InChIInChI=1S/C6H12ClNO/c1-3-4-6(7)5(2)8-9/h5-6H,3-4H2,1-2H3
InChIKeyNRPWPCUWKQBMIG-UHFFFAOYSA-N
XLogP2.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-1-nitrosobutane
CID 91441735
4-chloro-3-methylheptane
CID 54215050
1-nitroso-N-propylbutan-1-amine
CID 23620026
3-chloro-2-methylheptane
CID 523767
4-chloro-5-methylundecane
CID 83051980
(4R)-3-bromo-4-chloroheptane
CID 138653502
2-nitrosopentan-3-ol
CID 88945091
diethyl 2-(1-chlorobutyl)propanedioate
CID 174722210
N-[(3R)-3-methylhexyl]nitrous amide
CID 88966498
(2R,3R)-3-chlorohexane-1,2-diol
CID 13429724
3-chloro-2-methyltetradecane
CID 63459285
2,5-dinitrosohexane
CID 54503397

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nitrosohexane?
The IUPAC name of 3-chloro-2-nitrosohexane (CID 24821132) is 3-chloro-2-nitrosohexane.
What is the SMILES notation for 3-chloro-2-nitrosohexane?
The canonical SMILES for 3-chloro-2-nitrosohexane is CCCC(Cl)C(C)N=O.
What is the InChIKey of 3-chloro-2-nitrosohexane?
The InChIKey is NRPWPCUWKQBMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClNO/c1-3-4-6(7)5(2)8-9/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-chloro-2-nitrosohexane?
3-chloro-2-nitrosohexane has a molecular weight of 149.62 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-nitrosohexane is sourced from PubChem (CID 24821132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).