1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene

C8H15Cl2OP — CID 71390342

IUPAC1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
SMILESCC(=CP(=O)(Cl)Cl)CC(C)(C)C
InChIInChI=1S/C8H15Cl2OP/c1-7(5-8(2,3)4)6-12(9,10)11/h6H,5H2,1-4H3
InChIKeyPSXFQRTXDJIMOK-UHFFFAOYSA-N
MW229.09 g/mol
LogP5.00
Rot. Bonds2

About 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene

1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene (PubChem CID 71390342) has the molecular formula C8H15Cl2OP and a molecular weight of 229.09 g/mol. Its IUPAC name is 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene.

Molecular Properties

Compound Name1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
PubChem CID71390342
Molecular FormulaC8H15Cl2OP
Molecular Weight229.09 g/mol
Exact Mass228.02
IUPAC Name1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene
SMILESCC(=CP(=O)(Cl)Cl)CC(C)(C)C
InChIInChI=1S/C8H15Cl2OP/c1-7(5-8(2,3)4)6-12(9,10)11/h6H,5H2,1-4H3
InChIKeyPSXFQRTXDJIMOK-UHFFFAOYSA-N
XLogP5.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.09
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene?
The IUPAC name of 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene (CID 71390342) is 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene.
What is the SMILES notation for 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene?
The canonical SMILES for 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene is CC(=CP(=O)(Cl)Cl)CC(C)(C)C.
What is the InChIKey of 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene?
The InChIKey is PSXFQRTXDJIMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15Cl2OP/c1-7(5-8(2,3)4)6-12(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene?
1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene has a molecular weight of 229.09 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryl-2,4,4-trimethylpent-1-ene is sourced from PubChem (CID 71390342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).