1-chloro-8-methyl-3-nitrosodecane

C11H22ClNO — CID 143714871

IUPAC1-chloro-8-methyl-3-nitrosodecane
SMILESCCC(C)CCCCC(CCCl)N=O
InChIInChI=1S/C11H22ClNO/c1-3-10(2)6-4-5-7-11(13-14)8-9-12/h10-11H,3-9H2,1-2H3
InChIKeyRMEWZDLIIPTHGJ-UHFFFAOYSA-N
MW219.76 g/mol
LogP4.36
Rot. Bonds9

About 1-chloro-8-methyl-3-nitrosodecane

1-chloro-8-methyl-3-nitrosodecane (PubChem CID 143714871) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 1-chloro-8-methyl-3-nitrosodecane.

Molecular Properties

Compound Name1-chloro-8-methyl-3-nitrosodecane
PubChem CID143714871
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name1-chloro-8-methyl-3-nitrosodecane
SMILESCCC(C)CCCCC(CCCl)N=O
InChIInChI=1S/C11H22ClNO/c1-3-10(2)6-4-5-7-11(13-14)8-9-12/h10-11H,3-9H2,1-2H3
InChIKeyRMEWZDLIIPTHGJ-UHFFFAOYSA-N
XLogP4.36
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

19-nitrosoheptatriacontane
CID 88669606
3-nitrosooctane
CID 57157162
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methyldodecane
CID 28469
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048
3-ethyl-8-methyldecane
CID 57490930
1,7-dichloro-3-methylheptane
CID 175072872
(3R)-3-methyltetracosane
CID 162842417
5-nitrosooctadecan-2-ol
CID 87834682
3,9,11-trimethyltetradecane
CID 158626683

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-methyl-3-nitrosodecane?
The IUPAC name of 1-chloro-8-methyl-3-nitrosodecane (CID 143714871) is 1-chloro-8-methyl-3-nitrosodecane.
What is the SMILES notation for 1-chloro-8-methyl-3-nitrosodecane?
The canonical SMILES for 1-chloro-8-methyl-3-nitrosodecane is CCC(C)CCCCC(CCCl)N=O.
What is the InChIKey of 1-chloro-8-methyl-3-nitrosodecane?
The InChIKey is RMEWZDLIIPTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-3-10(2)6-4-5-7-11(13-14)8-9-12/h10-11H,3-9H2,1-2H3.
What are the key properties of 1-chloro-8-methyl-3-nitrosodecane?
1-chloro-8-methyl-3-nitrosodecane has a molecular weight of 219.76 g/mol, XLogP of 4.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-methyl-3-nitrosodecane is sourced from PubChem (CID 143714871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).