(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene

C10H15Cl3 — CID 162949524

IUPAC(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene
SMILESC=C(C)[C@H](Cl)CC/C(=C/CCl)CCl
InChIInChI=1S/C10H15Cl3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10H,1,3-4,6-7H2,2H3/b9-5-/t10-/m1/s1
InChIKeyIJUCTAAVIBJKSE-HYHWUIIZSA-N
MW241.59 g/mol
LogP4.35
Rot. Bonds6

About (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene

(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene (PubChem CID 162949524) has the molecular formula C10H15Cl3 and a molecular weight of 241.59 g/mol. Its IUPAC name is (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene.

Molecular Properties

Compound Name(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene
PubChem CID162949524
Molecular FormulaC10H15Cl3
Molecular Weight241.59 g/mol
Exact Mass240.02
IUPAC Name(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene
SMILESC=C(C)[C@H](Cl)CC/C(=C/CCl)CCl
InChIInChI=1S/C10H15Cl3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10H,1,3-4,6-7H2,2H3/b9-5-/t10-/m1/s1
InChIKeyIJUCTAAVIBJKSE-HYHWUIIZSA-N
XLogP4.35
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 ≤ 54.35
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 (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The IUPAC name of (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene (CID 162949524) is (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene.
What is the SMILES notation for (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The canonical SMILES for (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene is C=C(C)[C@H](Cl)CC/C(=C/CCl)CCl.
What is the InChIKey of (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene?
The InChIKey is IJUCTAAVIBJKSE-HYHWUIIZSA-N. The full InChI is InChI=1S/C10H15Cl3/c1-8(2)10(13)4-3-9(7-12)5-6-11/h5,10H,1,3-4,6-7H2,2H3/b9-5-/t10-/m1/s1.
What are the key properties of (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene?
(3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene has a molecular weight of 241.59 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6Z)-3,8-dichloro-6-(chloromethyl)-2-methylocta-1,6-diene is sourced from PubChem (CID 162949524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).