dichlorophosphinic acid;hexa-1,5-dien-3-ol

C6H11Cl2O3P — CID 175351921

IUPACdichlorophosphinic acid;hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=C.O=P(O)(Cl)Cl
InChIInChI=1S/C6H10O.Cl2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4)
InChIKeyFGEHQFOSWPSHGK-UHFFFAOYSA-N
MW233.03 g/mol
LogP2.67
Rot. Bonds3

About dichlorophosphinic acid;hexa-1,5-dien-3-ol

dichlorophosphinic acid;hexa-1,5-dien-3-ol (PubChem CID 175351921) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is dichlorophosphinic acid;hexa-1,5-dien-3-ol.

Molecular Properties

Compound Namedichlorophosphinic acid;hexa-1,5-dien-3-ol
PubChem CID175351921
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Namedichlorophosphinic acid;hexa-1,5-dien-3-ol
SMILESC=CCC(O)C=C.O=P(O)(Cl)Cl
InChIInChI=1S/C6H10O.Cl2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4)
InChIKeyFGEHQFOSWPSHGK-UHFFFAOYSA-N
XLogP2.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 52.67
H-Bond Donors ≤ 52
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 dichlorophosphinic acid;hexa-1,5-dien-3-ol?
The IUPAC name of dichlorophosphinic acid;hexa-1,5-dien-3-ol (CID 175351921) is dichlorophosphinic acid;hexa-1,5-dien-3-ol.
What is the SMILES notation for dichlorophosphinic acid;hexa-1,5-dien-3-ol?
The canonical SMILES for dichlorophosphinic acid;hexa-1,5-dien-3-ol is C=CCC(O)C=C.O=P(O)(Cl)Cl.
What is the InChIKey of dichlorophosphinic acid;hexa-1,5-dien-3-ol?
The InChIKey is FGEHQFOSWPSHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.Cl2HO2P/c1-3-5-6(7)4-2;1-5(2,3)4/h3-4,6-7H,1-2,5H2;(H,3,4).
What are the key properties of dichlorophosphinic acid;hexa-1,5-dien-3-ol?
dichlorophosphinic acid;hexa-1,5-dien-3-ol has a molecular weight of 233.03 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorophosphinic acid;hexa-1,5-dien-3-ol is sourced from PubChem (CID 175351921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).