1-chloroethylcyclododecane

C14H27Cl — CID 66468842

IUPAC1-chloroethylcyclododecane
SMILESCC(Cl)C1CCCCCCCCCCC1
InChIInChI=1S/C14H27Cl/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3
InChIKeyANSZFYZGHYTWIT-UHFFFAOYSA-N
MW230.82 g/mol
LogP5.53
Rot. Bonds1

About 1-chloroethylcyclododecane

1-chloroethylcyclododecane (PubChem CID 66468842) has the molecular formula C14H27Cl and a molecular weight of 230.82 g/mol. Its IUPAC name is 1-chloroethylcyclododecane.

Molecular Properties

Compound Name1-chloroethylcyclododecane
PubChem CID66468842
Molecular FormulaC14H27Cl
Molecular Weight230.82 g/mol
Exact Mass230.18
IUPAC Name1-chloroethylcyclododecane
SMILESCC(Cl)C1CCCCCCCCCCC1
InChIInChI=1S/C14H27Cl/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3
InChIKeyANSZFYZGHYTWIT-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloroethylcyclododecane?
The IUPAC name of 1-chloroethylcyclododecane (CID 66468842) is 1-chloroethylcyclododecane.
What is the SMILES notation for 1-chloroethylcyclododecane?
The canonical SMILES for 1-chloroethylcyclododecane is CC(Cl)C1CCCCCCCCCCC1.
What is the InChIKey of 1-chloroethylcyclododecane?
The InChIKey is ANSZFYZGHYTWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27Cl/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-14H,2-12H2,1H3.
What are the key properties of 1-chloroethylcyclododecane?
1-chloroethylcyclododecane has a molecular weight of 230.82 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethylcyclododecane is sourced from PubChem (CID 66468842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).