4-dichlorophosphoryloxyhepta-1,6-diene

C7H11Cl2O2P — CID 166519646

IUPAC4-dichlorophosphoryloxyhepta-1,6-diene
SMILESC=CCC(CC=C)OP(=O)(Cl)Cl
InChIInChI=1S/C7H11Cl2O2P/c1-3-5-7(6-4-2)11-12(8,9)10/h3-4,7H,1-2,5-6H2
InChIKeyWRNQGBUYTLOMNJ-UHFFFAOYSA-N
MW229.04 g/mol
LogP4.11
Rot. Bonds6

About 4-dichlorophosphoryloxyhepta-1,6-diene

4-dichlorophosphoryloxyhepta-1,6-diene (PubChem CID 166519646) has the molecular formula C7H11Cl2O2P and a molecular weight of 229.04 g/mol. Its IUPAC name is 4-dichlorophosphoryloxyhepta-1,6-diene.

Molecular Properties

Compound Name4-dichlorophosphoryloxyhepta-1,6-diene
PubChem CID166519646
Molecular FormulaC7H11Cl2O2P
Molecular Weight229.04 g/mol
Exact Mass227.99
IUPAC Name4-dichlorophosphoryloxyhepta-1,6-diene
SMILESC=CCC(CC=C)OP(=O)(Cl)Cl
InChIInChI=1S/C7H11Cl2O2P/c1-3-5-7(6-4-2)11-12(8,9)10/h3-4,7H,1-2,5-6H2
InChIKeyWRNQGBUYTLOMNJ-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-dichlorophosphoryloxyhepta-1,6-diene?
The IUPAC name of 4-dichlorophosphoryloxyhepta-1,6-diene (CID 166519646) is 4-dichlorophosphoryloxyhepta-1,6-diene.
What is the SMILES notation for 4-dichlorophosphoryloxyhepta-1,6-diene?
The canonical SMILES for 4-dichlorophosphoryloxyhepta-1,6-diene is C=CCC(CC=C)OP(=O)(Cl)Cl.
What is the InChIKey of 4-dichlorophosphoryloxyhepta-1,6-diene?
The InChIKey is WRNQGBUYTLOMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl2O2P/c1-3-5-7(6-4-2)11-12(8,9)10/h3-4,7H,1-2,5-6H2.
What are the key properties of 4-dichlorophosphoryloxyhepta-1,6-diene?
4-dichlorophosphoryloxyhepta-1,6-diene has a molecular weight of 229.04 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dichlorophosphoryloxyhepta-1,6-diene is sourced from PubChem (CID 166519646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).