(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene

C10H14Cl2 — CID 143328452

IUPAC(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene
SMILESC=C(Cl)/C=C(/Cl)C(=C)C(C)CC
InChIInChI=1S/C10H14Cl2/c1-5-7(2)9(4)10(12)6-8(3)11/h6-7H,3-5H2,1-2H3/b10-6+
InChIKeyTUAKHGAYUAADDO-UXBLZVDNSA-N
MW205.13 g/mol
LogP4.46
Rot. Bonds4

About (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene

(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene (PubChem CID 143328452) has the molecular formula C10H14Cl2 and a molecular weight of 205.13 g/mol. Its IUPAC name is (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene.

Molecular Properties

Compound Name(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene
PubChem CID143328452
Molecular FormulaC10H14Cl2
Molecular Weight205.13 g/mol
Exact Mass204.05
IUPAC Name(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene
SMILESC=C(Cl)/C=C(/Cl)C(=C)C(C)CC
InChIInChI=1S/C10H14Cl2/c1-5-7(2)9(4)10(12)6-8(3)11/h6-7H,3-5H2,1-2H3/b10-6+
InChIKeyTUAKHGAYUAADDO-UXBLZVDNSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Chloromyrcene
CID 23247410
2,6-Dichloro-7-methyl-3-methylideneocta-1,6-diene
CID 23426906
1-Chloro-6-fluoro-4,5-dimethylcyclohexa-1,3-diene
CID 134365636
(Z)-5-(1-chloroethenyl)-6-fluoro-2,6-dimethyloct-4-ene
CID 138527452
1-Chloro-5-ethyl-3-fluorocyclohexa-1,3-diene
CID 146388293
1-Chloro-4-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 148834616
4-chloro-2-[(1E,4R)-4,5-dimethylhexa-1,5-dienyl]-1-fluorocyclohexa-1,3-diene
CID 174312792
5-Chloro-3-fluoro-1,6-dimethylcyclohexa-1,3-diene
CID 175621279
(3Z)-2-chloro-5-fluoro-3-propan-2-ylhexa-1,3,5-triene
CID 177319835
1,3-Dichloro-5-methylcyclohexa-1,3-diene
CID 17836155
2,5-Dichloro-1,3,5,6-tetramethylcyclohexa-1,3-diene
CID 18947381
2,4-Dichloro-1-ethylcyclohexa-1,3-diene
CID 19096890

Frequently Asked Questions

What is the IUPAC name of (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene?
The IUPAC name of (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene (CID 143328452) is (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene.
What is the SMILES notation for (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene?
The canonical SMILES for (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene is C=C(Cl)/C=C(/Cl)C(=C)C(C)CC.
What is the InChIKey of (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene?
The InChIKey is TUAKHGAYUAADDO-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H14Cl2/c1-5-7(2)9(4)10(12)6-8(3)11/h6-7H,3-5H2,1-2H3/b10-6+.
What are the key properties of (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene?
(3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene has a molecular weight of 205.13 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,4-dichloro-6-methyl-5-methylideneocta-1,3-diene is sourced from PubChem (CID 143328452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).