3,5-dichloro-3,5-dimethyloctane

C10H20Cl2 — CID 139809345

IUPAC3,5-dichloro-3,5-dimethyloctane
SMILESCCCC(C)(Cl)CC(C)(Cl)CC
InChIInChI=1S/C10H20Cl2/c1-5-7-10(4,12)8-9(3,11)6-2/h5-8H2,1-4H3
InChIKeyFBZYTVGELYKPHT-UHFFFAOYSA-N
MW211.18 g/mol
LogP4.58
Rot. Bonds5

About 3,5-dichloro-3,5-dimethyloctane

3,5-dichloro-3,5-dimethyloctane (PubChem CID 139809345) has the molecular formula C10H20Cl2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3,5-dichloro-3,5-dimethyloctane.

Molecular Properties

Compound Name3,5-dichloro-3,5-dimethyloctane
PubChem CID139809345
Molecular FormulaC10H20Cl2
Molecular Weight211.18 g/mol
Exact Mass210.09
IUPAC Name3,5-dichloro-3,5-dimethyloctane
SMILESCCCC(C)(Cl)CC(C)(Cl)CC
InChIInChI=1S/C10H20Cl2/c1-5-7-10(4,12)8-9(3,11)6-2/h5-8H2,1-4H3
InChIKeyFBZYTVGELYKPHT-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 54.58
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 3,5-dichloro-3,5-dimethyloctane?
The IUPAC name of 3,5-dichloro-3,5-dimethyloctane (CID 139809345) is 3,5-dichloro-3,5-dimethyloctane.
What is the SMILES notation for 3,5-dichloro-3,5-dimethyloctane?
The canonical SMILES for 3,5-dichloro-3,5-dimethyloctane is CCCC(C)(Cl)CC(C)(Cl)CC.
What is the InChIKey of 3,5-dichloro-3,5-dimethyloctane?
The InChIKey is FBZYTVGELYKPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20Cl2/c1-5-7-10(4,12)8-9(3,11)6-2/h5-8H2,1-4H3.
What are the key properties of 3,5-dichloro-3,5-dimethyloctane?
3,5-dichloro-3,5-dimethyloctane has a molecular weight of 211.18 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-3,5-dimethyloctane is sourced from PubChem (CID 139809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).