1,1-dichlorocyclooctane

C8H14Cl2 — CID 13066177

IUPAC1,1-dichlorocyclooctane
SMILESClC1(Cl)CCCCCCC1
InChIInChI=1S/C8H14Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-7H2
InChIKeyXHNVGCYFMWQCAH-UHFFFAOYSA-N
MW181.11 g/mol
LogP3.90
Rot. Bonds

About 1,1-dichlorocyclooctane

1,1-dichlorocyclooctane (PubChem CID 13066177) has the molecular formula C8H14Cl2 and a molecular weight of 181.11 g/mol. Its IUPAC name is 1,1-dichlorocyclooctane.

Molecular Properties

Compound Name1,1-dichlorocyclooctane
PubChem CID13066177
Molecular FormulaC8H14Cl2
Molecular Weight181.11 g/mol
Exact Mass180.05
IUPAC Name1,1-dichlorocyclooctane
SMILESClC1(Cl)CCCCCCC1
InChIInChI=1S/C8H14Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-7H2
InChIKeyXHNVGCYFMWQCAH-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.11
LogP ≤ 53.90
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 1,1-dichlorocyclooctane?
The IUPAC name of 1,1-dichlorocyclooctane (CID 13066177) is 1,1-dichlorocyclooctane.
What is the SMILES notation for 1,1-dichlorocyclooctane?
The canonical SMILES for 1,1-dichlorocyclooctane is ClC1(Cl)CCCCCCC1.
What is the InChIKey of 1,1-dichlorocyclooctane?
The InChIKey is XHNVGCYFMWQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14Cl2/c9-8(10)6-4-2-1-3-5-7-8/h1-7H2.
What are the key properties of 1,1-dichlorocyclooctane?
1,1-dichlorocyclooctane has a molecular weight of 181.11 g/mol, XLogP of 3.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichlorocyclooctane is sourced from PubChem (CID 13066177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).