8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene

C11H17ClO — CID 178148717

IUPAC8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene
SMILESClCCC1=CCC2(CCCO2)CC1
InChIInChI=1S/C11H17ClO/c12-8-4-10-2-6-11(7-3-10)5-1-9-13-11/h2H,1,3-9H2
InChIKeyRWVDZZIFRRJORP-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.27
Rot. Bonds2

About 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene

8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene (PubChem CID 178148717) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene.

Molecular Properties

Compound Name8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene
PubChem CID178148717
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene
SMILESClCCC1=CCC2(CCCO2)CC1
InChIInChI=1S/C11H17ClO/c12-8-4-10-2-6-11(7-3-10)5-1-9-13-11/h2H,1,3-9H2
InChIKeyRWVDZZIFRRJORP-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene?
The IUPAC name of 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene (CID 178148717) is 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene.
What is the SMILES notation for 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene?
The canonical SMILES for 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene is ClCCC1=CCC2(CCCO2)CC1.
What is the InChIKey of 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene?
The InChIKey is RWVDZZIFRRJORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO/c12-8-4-10-2-6-11(7-3-10)5-1-9-13-11/h2H,1,3-9H2.
What are the key properties of 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene?
8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene has a molecular weight of 200.71 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-chloroethyl)-1-oxaspiro[4.5]dec-7-ene is sourced from PubChem (CID 178148717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).