3-(1-chloropropyl)spiro[3.4]octane

C11H19Cl — CID 164649951

IUPAC3-(1-chloropropyl)spiro[3.4]octane
SMILESCCC(Cl)C1CCC12CCCC2
InChIInChI=1S/C11H19Cl/c1-2-10(12)9-5-8-11(9)6-3-4-7-11/h9-10H,2-8H2,1H3
InChIKeyCGIIFOVPEYLAKR-UHFFFAOYSA-N
MW186.73 g/mol
LogP3.97
Rot. Bonds2

About 3-(1-chloropropyl)spiro[3.4]octane

3-(1-chloropropyl)spiro[3.4]octane (PubChem CID 164649951) has the molecular formula C11H19Cl and a molecular weight of 186.73 g/mol. Its IUPAC name is 3-(1-chloropropyl)spiro[3.4]octane.

Molecular Properties

Compound Name3-(1-chloropropyl)spiro[3.4]octane
PubChem CID164649951
Molecular FormulaC11H19Cl
Molecular Weight186.73 g/mol
Exact Mass186.12
IUPAC Name3-(1-chloropropyl)spiro[3.4]octane
SMILESCCC(Cl)C1CCC12CCCC2
InChIInChI=1S/C11H19Cl/c1-2-10(12)9-5-8-11(9)6-3-4-7-11/h9-10H,2-8H2,1H3
InChIKeyCGIIFOVPEYLAKR-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.73
LogP ≤ 53.97
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-chloropropyl)spiro[3.4]octane?
The IUPAC name of 3-(1-chloropropyl)spiro[3.4]octane (CID 164649951) is 3-(1-chloropropyl)spiro[3.4]octane.
What is the SMILES notation for 3-(1-chloropropyl)spiro[3.4]octane?
The canonical SMILES for 3-(1-chloropropyl)spiro[3.4]octane is CCC(Cl)C1CCC12CCCC2.
What is the InChIKey of 3-(1-chloropropyl)spiro[3.4]octane?
The InChIKey is CGIIFOVPEYLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl/c1-2-10(12)9-5-8-11(9)6-3-4-7-11/h9-10H,2-8H2,1H3.
What are the key properties of 3-(1-chloropropyl)spiro[3.4]octane?
3-(1-chloropropyl)spiro[3.4]octane has a molecular weight of 186.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-chloropropyl)spiro[3.4]octane is sourced from PubChem (CID 164649951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).