1-chloro-1-nitrosocyclododecane

C12H22ClNO — CID 12551889

IUPAC1-chloro-1-nitrosocyclododecane
SMILESO=NC1(Cl)CCCCCCCCCCC1
InChIInChI=1S/C12H22ClNO/c13-12(14-15)10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKeyGQTWHAATGKQBFS-UHFFFAOYSA-N
MW231.77 g/mol
LogP4.99
Rot. Bonds1

About 1-chloro-1-nitrosocyclododecane

1-chloro-1-nitrosocyclododecane (PubChem CID 12551889) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 1-chloro-1-nitrosocyclododecane.

Molecular Properties

Compound Name1-chloro-1-nitrosocyclododecane
PubChem CID12551889
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name1-chloro-1-nitrosocyclododecane
SMILESO=NC1(Cl)CCCCCCCCCCC1
InChIInChI=1S/C12H22ClNO/c13-12(14-15)10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
InChIKeyGQTWHAATGKQBFS-UHFFFAOYSA-N
XLogP4.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1-nitrosocyclopentadecane
CID 71360750
1,1-dichlorocyclooctane
CID 13066177
cyclododecane;nitrosyl chloride
CID 174850346
1,1-dichlorocyclohexane;dihydrochloride
CID 175162377
1-chloro-1-methylcyclotridecane
CID 71082065
1,1,2,2,3,3,4,4,5,5-decachlorocyclodecane
CID 71370874
2,2,5,5-tetrachlorodispiro[2.0.24.63]dodecane
CID 13412659
cyclononane-1,1-diol
CID 23151649
1,1-dichlorocyclopentane;dihydrochloride
CID 146484844
cyclopentadecane-1,1-diol
CID 90867480
1-nitrosocyclobutane-1-carboxamide
CID 87070126
1-chloro-1,5,5-trimethylcyclotridecane
CID 71162180

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-nitrosocyclododecane?
The IUPAC name of 1-chloro-1-nitrosocyclododecane (CID 12551889) is 1-chloro-1-nitrosocyclododecane.
What is the SMILES notation for 1-chloro-1-nitrosocyclododecane?
The canonical SMILES for 1-chloro-1-nitrosocyclododecane is O=NC1(Cl)CCCCCCCCCCC1.
What is the InChIKey of 1-chloro-1-nitrosocyclododecane?
The InChIKey is GQTWHAATGKQBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c13-12(14-15)10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2.
What are the key properties of 1-chloro-1-nitrosocyclododecane?
1-chloro-1-nitrosocyclododecane has a molecular weight of 231.77 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-nitrosocyclododecane is sourced from PubChem (CID 12551889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).