8-(dichloromethyl)spiro[2.5]octane

C9H14Cl2 — CID 71341933

IUPAC8-(dichloromethyl)spiro[2.5]octane
SMILESClC(Cl)C1CCCCC12CC2
InChIInChI=1S/C9H14Cl2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7-8H,1-6H2
InChIKeyNLSFYXLVPYRUAD-UHFFFAOYSA-N
MW193.12 g/mol
LogP3.76
Rot. Bonds1

About 8-(dichloromethyl)spiro[2.5]octane

8-(dichloromethyl)spiro[2.5]octane (PubChem CID 71341933) has the molecular formula C9H14Cl2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 8-(dichloromethyl)spiro[2.5]octane.

Molecular Properties

Compound Name8-(dichloromethyl)spiro[2.5]octane
PubChem CID71341933
Molecular FormulaC9H14Cl2
Molecular Weight193.12 g/mol
Exact Mass192.05
IUPAC Name8-(dichloromethyl)spiro[2.5]octane
SMILESClC(Cl)C1CCCCC12CC2
InChIInChI=1S/C9H14Cl2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7-8H,1-6H2
InChIKeyNLSFYXLVPYRUAD-UHFFFAOYSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 53.76
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 8-(dichloromethyl)spiro[2.5]octane?
The IUPAC name of 8-(dichloromethyl)spiro[2.5]octane (CID 71341933) is 8-(dichloromethyl)spiro[2.5]octane.
What is the SMILES notation for 8-(dichloromethyl)spiro[2.5]octane?
The canonical SMILES for 8-(dichloromethyl)spiro[2.5]octane is ClC(Cl)C1CCCCC12CC2.
What is the InChIKey of 8-(dichloromethyl)spiro[2.5]octane?
The InChIKey is NLSFYXLVPYRUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2/c10-8(11)7-3-1-2-4-9(7)5-6-9/h7-8H,1-6H2.
What are the key properties of 8-(dichloromethyl)spiro[2.5]octane?
8-(dichloromethyl)spiro[2.5]octane has a molecular weight of 193.12 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dichloromethyl)spiro[2.5]octane is sourced from PubChem (CID 71341933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).