(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene

C10H11Cl5 — CID 23247405

IUPAC(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
SMILESC=C[C@@](C)(Cl)[C@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl
InChIInChI=1S/C10H11Cl5/c1-3-10(2,15)8(12)5-4-7(6-11)9(13)14/h3-6,8-9H,1H2,2H3/b5-4+,7-6-/t8-,10-/m1/s1
InChIKeyMJXNFVWOGHDQLN-WKQIZWIWSA-N
MW308.46 g/mol
LogP5.26
Rot. Bonds5

About (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene

(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene (PubChem CID 23247405) has the molecular formula C10H11Cl5 and a molecular weight of 308.46 g/mol. Its IUPAC name is (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene.

Molecular Properties

Compound Name(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
PubChem CID23247405
Molecular FormulaC10H11Cl5
Molecular Weight308.46 g/mol
Exact Mass305.93
IUPAC Name(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
SMILESC=C[C@@](C)(Cl)[C@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl
InChIInChI=1S/C10H11Cl5/c1-3-10(2,15)8(12)5-4-7(6-11)9(13)14/h3-6,8-9H,1H2,2H3/b5-4+,7-6-/t8-,10-/m1/s1
InChIKeyMJXNFVWOGHDQLN-WKQIZWIWSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 55.26
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene with MolForge

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Related Compounds

(3E,5R,6R,7E)-8-bromo-5,6-dichloro-2-(chloromethyl)-6-methylocta-1,3,7-triene
CID 14805232
(1E,3E,5S,6S,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 44583705
(1E,3E,5S,6R,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 10023075
7-(bromochloromethyl)-3R,4S,8-trichloro-3-methyl-1,5E,7E-octatriene
CID 21630827
(1E,3E,5S,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 16730912
(1Z,3E,5S,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 21630823
(3E,5S,6R)-5,6-dichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 23247404
(1Z,3E,5R,6R,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 23247406
(1Z,3E,5S,6R,7E)-8-bromo-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 23247407
(1Z,3E,5S,6S)-1-bromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
CID 42646429
(1Z,3E,5R,6S)-1-bromo-5,6-dichloro-2,6-dimethylocta-1,3,7-triene
CID 42646430
(3E,5R,6S)-5,6-dichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene
CID 44241697

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene?
The IUPAC name of (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene (CID 23247405) is (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene.
What is the SMILES notation for (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene?
The canonical SMILES for (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene is C=C[C@@](C)(Cl)[C@H](Cl)/C=C/C(=C/Cl)C(Cl)Cl.
What is the InChIKey of (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene?
The InChIKey is MJXNFVWOGHDQLN-WKQIZWIWSA-N. The full InChI is InChI=1S/C10H11Cl5/c1-3-10(2,15)8(12)5-4-7(6-11)9(13)14/h3-6,8-9H,1H2,2H3/b5-4+,7-6-/t8-,10-/m1/s1.
What are the key properties of (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene?
(1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene has a molecular weight of 308.46 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5R,6R)-1,5,6-trichloro-2-(dichloromethyl)-6-methylocta-1,3,7-triene is sourced from PubChem (CID 23247405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).