(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene

C9H14Cl5OP — CID 15580389

IUPAC(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene
SMILESCC(C)(C)/C(=C(\Cl)C(C)(Cl)CCl)P(=O)(Cl)Cl
InChIInChI=1S/C9H14Cl5OP/c1-8(2,3)7(16(13,14)15)6(11)9(4,12)5-10/h5H2,1-4H3/b7-6+
InChIKeyIDVRFJIQLYTJEZ-VOTSOKGWSA-N
MW346.45 g/mol
LogP6.39
Rot. Bonds3

About (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene

(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene (PubChem CID 15580389) has the molecular formula C9H14Cl5OP and a molecular weight of 346.45 g/mol. Its IUPAC name is (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene.

Molecular Properties

Compound Name(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene
PubChem CID15580389
Molecular FormulaC9H14Cl5OP
Molecular Weight346.45 g/mol
Exact Mass343.92
IUPAC Name(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene
SMILESCC(C)(C)/C(=C(\Cl)C(C)(Cl)CCl)P(=O)(Cl)Cl
InChIInChI=1S/C9H14Cl5OP/c1-8(2,3)7(16(13,14)15)6(11)9(4,12)5-10/h5H2,1-4H3/b7-6+
InChIKeyIDVRFJIQLYTJEZ-VOTSOKGWSA-N
XLogP6.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene?
The IUPAC name of (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene (CID 15580389) is (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene.
What is the SMILES notation for (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene?
The canonical SMILES for (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene is CC(C)(C)/C(=C(\Cl)C(C)(Cl)CCl)P(=O)(Cl)Cl.
What is the InChIKey of (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene?
The InChIKey is IDVRFJIQLYTJEZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H14Cl5OP/c1-8(2,3)7(16(13,14)15)6(11)9(4,12)5-10/h5H2,1-4H3/b7-6+.
What are the key properties of (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene?
(E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene has a molecular weight of 346.45 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3-trichloro-4-dichlorophosphoryl-2,5,5-trimethylhex-3-ene is sourced from PubChem (CID 15580389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).