1-dichlorophosphoryloxy-3,3-dimethylpentane

C7H15Cl2O2P — CID 88829328

IUPAC1-dichlorophosphoryloxy-3,3-dimethylpentane
SMILESCCC(C)(C)CCOP(=O)(Cl)Cl
InChIInChI=1S/C7H15Cl2O2P/c1-4-7(2,3)5-6-11-12(8,9)10/h4-6H2,1-3H3
InChIKeyWCQSASQSDJUFBO-UHFFFAOYSA-N
MW233.07 g/mol
LogP4.41
Rot. Bonds5

About 1-dichlorophosphoryloxy-3,3-dimethylpentane

1-dichlorophosphoryloxy-3,3-dimethylpentane (PubChem CID 88829328) has the molecular formula C7H15Cl2O2P and a molecular weight of 233.07 g/mol. Its IUPAC name is 1-dichlorophosphoryloxy-3,3-dimethylpentane.

Molecular Properties

Compound Name1-dichlorophosphoryloxy-3,3-dimethylpentane
PubChem CID88829328
Molecular FormulaC7H15Cl2O2P
Molecular Weight233.07 g/mol
Exact Mass232.02
IUPAC Name1-dichlorophosphoryloxy-3,3-dimethylpentane
SMILESCCC(C)(C)CCOP(=O)(Cl)Cl
InChIInChI=1S/C7H15Cl2O2P/c1-4-7(2,3)5-6-11-12(8,9)10/h4-6H2,1-3H3
InChIKeyWCQSASQSDJUFBO-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-dichlorophosphoryloxy-1,1,1-trifluoropropane
CID 58544432
1-dichlorophosphoryloxy-2-ethoxyethane
CID 12585942
1-dichlorophosphoryloxyoctadecane
CID 88757359
tris(5-hydroxy-3,3-dimethylpentyl) phosphate
CID 139533089
(4-chloro-3,3-dimethyl-4-oxobutyl) dihydrogen phosphate
CID 91207807
3,3-dimethylhexane
CID 11233
3,3-dimethylpentyl 2-methylprop-2-enoate
CID 20670454
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141
N-(2-methoxyethyl)-N,3,3-trimethylpentan-1-amine
CID 142009573
3-(3,3-dimethylpentoxy)-3-methylbutan-1-amine
CID 91197205
3-(3,3-dimethylpentoxy)-N-ethyl-3-methylpentan-1-amine
CID 177178732
[7-(8-hydroxy-5,5-dimethyloctoxy)-3,3-dimethylheptyl] dihydrogen phosphate
CID 23390840

Frequently Asked Questions

What is the IUPAC name of 1-dichlorophosphoryloxy-3,3-dimethylpentane?
The IUPAC name of 1-dichlorophosphoryloxy-3,3-dimethylpentane (CID 88829328) is 1-dichlorophosphoryloxy-3,3-dimethylpentane.
What is the SMILES notation for 1-dichlorophosphoryloxy-3,3-dimethylpentane?
The canonical SMILES for 1-dichlorophosphoryloxy-3,3-dimethylpentane is CCC(C)(C)CCOP(=O)(Cl)Cl.
What is the InChIKey of 1-dichlorophosphoryloxy-3,3-dimethylpentane?
The InChIKey is WCQSASQSDJUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15Cl2O2P/c1-4-7(2,3)5-6-11-12(8,9)10/h4-6H2,1-3H3.
What are the key properties of 1-dichlorophosphoryloxy-3,3-dimethylpentane?
1-dichlorophosphoryloxy-3,3-dimethylpentane has a molecular weight of 233.07 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dichlorophosphoryloxy-3,3-dimethylpentane is sourced from PubChem (CID 88829328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).