3-dichlorophosphoryloxyhexa-1,5-diene

C6H9Cl2O2P — CID 166519676

IUPAC3-dichlorophosphoryloxyhexa-1,5-diene
SMILESC=CCC(C=C)OP(=O)(Cl)Cl
InChIInChI=1S/C6H9Cl2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2
InChIKeyDPDRKUFHISKIHV-UHFFFAOYSA-N
MW215.02 g/mol
LogP3.72
Rot. Bonds5

About 3-dichlorophosphoryloxyhexa-1,5-diene

3-dichlorophosphoryloxyhexa-1,5-diene (PubChem CID 166519676) has the molecular formula C6H9Cl2O2P and a molecular weight of 215.02 g/mol. Its IUPAC name is 3-dichlorophosphoryloxyhexa-1,5-diene.

Molecular Properties

Compound Name3-dichlorophosphoryloxyhexa-1,5-diene
PubChem CID166519676
Molecular FormulaC6H9Cl2O2P
Molecular Weight215.02 g/mol
Exact Mass213.97
IUPAC Name3-dichlorophosphoryloxyhexa-1,5-diene
SMILESC=CCC(C=C)OP(=O)(Cl)Cl
InChIInChI=1S/C6H9Cl2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2
InChIKeyDPDRKUFHISKIHV-UHFFFAOYSA-N
XLogP3.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.02
LogP ≤ 53.72
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 3-dichlorophosphoryloxyhexa-1,5-diene?
The IUPAC name of 3-dichlorophosphoryloxyhexa-1,5-diene (CID 166519676) is 3-dichlorophosphoryloxyhexa-1,5-diene.
What is the SMILES notation for 3-dichlorophosphoryloxyhexa-1,5-diene?
The canonical SMILES for 3-dichlorophosphoryloxyhexa-1,5-diene is C=CCC(C=C)OP(=O)(Cl)Cl.
What is the InChIKey of 3-dichlorophosphoryloxyhexa-1,5-diene?
The InChIKey is DPDRKUFHISKIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2O2P/c1-3-5-6(4-2)10-11(7,8)9/h3-4,6H,1-2,5H2.
What are the key properties of 3-dichlorophosphoryloxyhexa-1,5-diene?
3-dichlorophosphoryloxyhexa-1,5-diene has a molecular weight of 215.02 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dichlorophosphoryloxyhexa-1,5-diene is sourced from PubChem (CID 166519676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).