3-(1-chloroethyl)spiro[5.5]undecane

C13H23Cl — CID 58073632

IUPAC3-(1-chloroethyl)spiro[5.5]undecane
SMILESCC(Cl)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23Cl/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10H2,1H3
InChIKeyTUPORLMDVLSRKE-UHFFFAOYSA-N
MW214.78 g/mol
LogP4.75
Rot. Bonds1

About 3-(1-chloroethyl)spiro[5.5]undecane

3-(1-chloroethyl)spiro[5.5]undecane (PubChem CID 58073632) has the molecular formula C13H23Cl and a molecular weight of 214.78 g/mol. Its IUPAC name is 3-(1-chloroethyl)spiro[5.5]undecane.

Molecular Properties

Compound Name3-(1-chloroethyl)spiro[5.5]undecane
PubChem CID58073632
Molecular FormulaC13H23Cl
Molecular Weight214.78 g/mol
Exact Mass214.15
IUPAC Name3-(1-chloroethyl)spiro[5.5]undecane
SMILESCC(Cl)C1CCC2(CCCCC2)CC1
InChIInChI=1S/C13H23Cl/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10H2,1H3
InChIKeyTUPORLMDVLSRKE-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.78
LogP ≤ 54.75
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 3-(1-chloroethyl)spiro[5.5]undecane?
The IUPAC name of 3-(1-chloroethyl)spiro[5.5]undecane (CID 58073632) is 3-(1-chloroethyl)spiro[5.5]undecane.
What is the SMILES notation for 3-(1-chloroethyl)spiro[5.5]undecane?
The canonical SMILES for 3-(1-chloroethyl)spiro[5.5]undecane is CC(Cl)C1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(1-chloroethyl)spiro[5.5]undecane?
The InChIKey is TUPORLMDVLSRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl/c1-11(14)12-5-9-13(10-6-12)7-3-2-4-8-13/h11-12H,2-10H2,1H3.
What are the key properties of 3-(1-chloroethyl)spiro[5.5]undecane?
3-(1-chloroethyl)spiro[5.5]undecane has a molecular weight of 214.78 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloroethyl)spiro[5.5]undecane is sourced from PubChem (CID 58073632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).