(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene

C6H8Cl3OP — CID 134894054

IUPAC(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene
SMILESC=C(CC)/C(Cl)=C\P(=O)(Cl)Cl
InChIInChI=1S/C6H8Cl3OP/c1-3-5(2)6(7)4-11(8,9)10/h4H,2-3H2,1H3/b6-4+
InChIKeyZQKFAONOYROVIN-GQCTYLIASA-N
MW233.46 g/mol
LogP4.70
Rot. Bonds3

About (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene

(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene (PubChem CID 134894054) has the molecular formula C6H8Cl3OP and a molecular weight of 233.46 g/mol. Its IUPAC name is (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene.

Molecular Properties

Compound Name(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene
PubChem CID134894054
Molecular FormulaC6H8Cl3OP
Molecular Weight233.46 g/mol
Exact Mass231.94
IUPAC Name(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene
SMILESC=C(CC)/C(Cl)=C\P(=O)(Cl)Cl
InChIInChI=1S/C6H8Cl3OP/c1-3-5(2)6(7)4-11(8,9)10/h4H,2-3H2,1H3/b6-4+
InChIKeyZQKFAONOYROVIN-GQCTYLIASA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
CID 71390342
2-dimethylphosphorylbut-1-ene
CID 59649344
amino 2-methylidenebutanoate;phosphoric acid
CID 159978607
N-hydroxy-N-methyl-2-methylidenebutanamide
CID 22624762
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549
3-dichlorophosphorylprop-1-ene;phosphoryl trichloride
CID 174369495
potassium 2-methylidenebutanoate
CID 87611079
2-chloropent-1-en-3-one
CID 12710524
1-chloro-1-diethoxyphosphorylethene
CID 11481045
(1E)-1,2-dichloro-3-(chloromethyl)buta-1,3-diene
CID 13213505
carbonic acid;2-methylidenebutanoic acid;hydrofluoride
CID 87502083
lithium;hydride;2-methylidenebutanoic acid
CID 174729708

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene?
The IUPAC name of (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene (CID 134894054) is (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene.
What is the SMILES notation for (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene?
The canonical SMILES for (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene is C=C(CC)/C(Cl)=C\P(=O)(Cl)Cl.
What is the InChIKey of (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene?
The InChIKey is ZQKFAONOYROVIN-GQCTYLIASA-N. The full InChI is InChI=1S/C6H8Cl3OP/c1-3-5(2)6(7)4-11(8,9)10/h4H,2-3H2,1H3/b6-4+.
What are the key properties of (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene?
(E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene has a molecular weight of 233.46 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1-dichlorophosphoryl-3-methylidenepent-1-ene is sourced from PubChem (CID 134894054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).