[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate

C8H14ClO4P — CID 10911667

IUPAC[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(C)=C\C=C(/C)Cl
InChIInChI=1S/C8H14ClO4P/c1-7(9)5-6-8(2)13-14(10,11-3)12-4/h5-6H,1-4H3/b7-5+,8-6-
InChIKeyZNYUHKYNMBELIU-YMBWGVAGSA-N
MW240.62 g/mol
LogP3.45
Rot. Bonds5

About [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate

[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate (PubChem CID 10911667) has the molecular formula C8H14ClO4P and a molecular weight of 240.62 g/mol. Its IUPAC name is [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate.

Molecular Properties

Compound Name[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate
PubChem CID10911667
Molecular FormulaC8H14ClO4P
Molecular Weight240.62 g/mol
Exact Mass240.03
IUPAC Name[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate
SMILESCOP(=O)(OC)O/C(C)=C\C=C(/C)Cl
InChIInChI=1S/C8H14ClO4P/c1-7(9)5-6-8(2)13-14(10,11-3)12-4/h5-6H,1-4H3/b7-5+,8-6-
InChIKeyZNYUHKYNMBELIU-YMBWGVAGSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[(2Z)-5,5-dichloropenta-2,4-dien-2-yl] dimethyl phosphate
CID 12060303
[(2E)-5,5-dichloropenta-2,4-dien-2-yl] dimethyl phosphate
CID 23249469
[(1Z)-2-chloro-4-methylpenta-1,3-dienyl] diethyl phosphate
CID 57522996
[(1E)-2-chloro-4-methylpenta-1,3-dienyl] diethyl phosphate
CID 102486550

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate?
The IUPAC name of [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate (CID 10911667) is [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate.
What is the SMILES notation for [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate?
The canonical SMILES for [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate is COP(=O)(OC)O/C(C)=C\C=C(/C)Cl.
What is the InChIKey of [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate?
The InChIKey is ZNYUHKYNMBELIU-YMBWGVAGSA-N. The full InChI is InChI=1S/C8H14ClO4P/c1-7(9)5-6-8(2)13-14(10,11-3)12-4/h5-6H,1-4H3/b7-5+,8-6-.
What are the key properties of [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate?
[(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate has a molecular weight of 240.62 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-5-chlorohexa-2,4-dien-2-yl] dimethyl phosphate is sourced from PubChem (CID 10911667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).