cyclododecane;nitrosyl chloride

C12H24ClNO — CID 174850346

IUPACcyclododecane;nitrosyl chloride
SMILESC1CCCCCCCCCCC1.O=NCl
InChIInChI=1S/C12H24.ClNO/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-3/h1-12H2;
InChIKeyYGZROKZTZXMZAJ-UHFFFAOYSA-N
MW233.78 g/mol
LogP5.59
Rot. Bonds

About cyclododecane;nitrosyl chloride

cyclododecane;nitrosyl chloride (PubChem CID 174850346) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is cyclododecane;nitrosyl chloride.

Molecular Properties

Compound Namecyclododecane;nitrosyl chloride
PubChem CID174850346
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Namecyclododecane;nitrosyl chloride
SMILESC1CCCCCCCCCCC1.O=NCl
InChIInChI=1S/C12H24.ClNO/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-3/h1-12H2;
InChIKeyYGZROKZTZXMZAJ-UHFFFAOYSA-N
XLogP5.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.78
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclododecane;nitrosyl chloride?
The IUPAC name of cyclododecane;nitrosyl chloride (CID 174850346) is cyclododecane;nitrosyl chloride.
What is the SMILES notation for cyclododecane;nitrosyl chloride?
The canonical SMILES for cyclododecane;nitrosyl chloride is C1CCCCCCCCCCC1.O=NCl.
What is the InChIKey of cyclododecane;nitrosyl chloride?
The InChIKey is YGZROKZTZXMZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24.ClNO/c1-2-4-6-8-10-12-11-9-7-5-3-1;1-2-3/h1-12H2;.
What are the key properties of cyclododecane;nitrosyl chloride?
cyclododecane;nitrosyl chloride has a molecular weight of 233.78 g/mol, XLogP of 5.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclododecane;nitrosyl chloride is sourced from PubChem (CID 174850346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).