2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene

C10H14Cl2 — CID 23426906

IUPAC2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC(Cl)=C(C)C
InChIInChI=1S/C10H14Cl2/c1-7(2)10(12)6-5-8(3)9(4)11/h3-6H2,1-2H3
InChIKeyXZTMOOPVCCSPAZ-UHFFFAOYSA-N
MW205.13 g/mol
LogP4.61
Rot. Bonds4

About 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene

2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene (PubChem CID 23426906) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene.

Molecular Properties

Compound Name2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene
PubChem CID23426906
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene
SMILESC=C(Cl)C(=C)CCC(Cl)=C(C)C
InChIInChI=1S/C10H14Cl2/c1-7(2)10(12)6-5-8(3)9(4)11/h3-6H2,1-2H3
InChIKeyXZTMOOPVCCSPAZ-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene?
The IUPAC name of 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene (CID 23426906) is 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene.
What is the SMILES notation for 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene?
The canonical SMILES for 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene is C=C(Cl)C(=C)CCC(Cl)=C(C)C.
What is the InChIKey of 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene?
The InChIKey is XZTMOOPVCCSPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-7(2)10(12)6-5-8(3)9(4)11/h3-6H2,1-2H3.
What are the key properties of 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene?
2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene has a molecular weight of 205.13 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-7-methyl-3-methylideneocta-1,6-diene is sourced from PubChem (CID 23426906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).