(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene

C10H14Br2Cl2 — CID 163187390

IUPAC(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
SMILESCC(=C/C[C@H](Br)C(C)(C)Cl)/C(Cl)=C\Br
InChIInChI=1S/C10H14Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,6,9H,5H2,1-3H3/b7-4-,8-6+/t9-/m0/s1
InChIKeyBUUZNDRSQGLKGO-YRFIIHSASA-N
MW364.94 g/mol
LogP5.58
Rot. Bonds4

About (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene

(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene (PubChem CID 163187390) has the molecular formula C10H14Br2Cl2 and a molecular weight of 364.94 g/mol. Its IUPAC name is (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
PubChem CID163187390
Molecular FormulaC10H14Br2Cl2
Molecular Weight364.94 g/mol
Exact Mass361.88
IUPAC Name(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene
SMILESCC(=C/C[C@H](Br)C(C)(C)Cl)/C(Cl)=C\Br
InChIInChI=1S/C10H14Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,6,9H,5H2,1-3H3/b7-4-,8-6+/t9-/m0/s1
InChIKeyBUUZNDRSQGLKGO-YRFIIHSASA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.94
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene?
The IUPAC name of (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene (CID 163187390) is (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene.
What is the SMILES notation for (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene?
The canonical SMILES for (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene is CC(=C/C[C@H](Br)C(C)(C)Cl)/C(Cl)=C\Br.
What is the InChIKey of (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene?
The InChIKey is BUUZNDRSQGLKGO-YRFIIHSASA-N. The full InChI is InChI=1S/C10H14Br2Cl2/c1-7(8(13)6-11)4-5-9(12)10(2,3)14/h4,6,9H,5H2,1-3H3/b7-4-,8-6+/t9-/m0/s1.
What are the key properties of (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene?
(1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene has a molecular weight of 364.94 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,6S)-1,6-dibromo-2,7-dichloro-3,7-dimethylocta-1,3-diene is sourced from PubChem (CID 163187390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).