1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene

C10H15Cl3 — CID 71336638

IUPAC1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
SMILESCC(=CCCC(=CCCl)CCl)CCl
InChIInChI=1S/C10H15Cl3/c1-9(7-12)3-2-4-10(8-13)5-6-11/h3,5H,2,4,6-8H2,1H3
InChIKeyBEWXKOHVUWVSFA-UHFFFAOYSA-N
MW241.59 g/mol
LogP4.36
Rot. Bonds6

About 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene

1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene (PubChem CID 71336638) has the molecular formula C10H15Cl3 and a molecular weight of 241.59 g/mol. Its IUPAC name is 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene.

Molecular Properties

Compound Name1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
PubChem CID71336638
Molecular FormulaC10H15Cl3
Molecular Weight241.59 g/mol
Exact Mass240.02
IUPAC Name1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene
SMILESCC(=CCCC(=CCCl)CCl)CCl
InChIInChI=1S/C10H15Cl3/c1-9(7-12)3-2-4-10(8-13)5-6-11/h3,5H,2,4,6-8H2,1H3
InChIKeyBEWXKOHVUWVSFA-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.59
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene?
The IUPAC name of 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene (CID 71336638) is 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene.
What is the SMILES notation for 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene?
The canonical SMILES for 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene is CC(=CCCC(=CCCl)CCl)CCl.
What is the InChIKey of 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene?
The InChIKey is BEWXKOHVUWVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl3/c1-9(7-12)3-2-4-10(8-13)5-6-11/h3,5H,2,4,6-8H2,1H3.
What are the key properties of 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene?
1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene has a molecular weight of 241.59 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-6-(chloromethyl)-2-methylocta-2,6-diene is sourced from PubChem (CID 71336638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).