3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane

C6H12ClO3P-2 — CID 91873465

IUPAC3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCC(CC)(CCl)P(=O)([O-])[O-]
InChIInChI=1S/C6H14ClO3P/c1-3-6(4-2,5-7)11(8,9)10/h3-5H2,1-2H3,(H2,8,9,10)/p-2
InChIKeyXJQVKLGARGKTMZ-UHFFFAOYSA-L
MW198.59 g/mol
LogP0.70
Rot. Bonds4

About 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane

3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane (PubChem CID 91873465) has the molecular formula C6H12ClO3P-2 and a molecular weight of 198.59 g/mol. Its IUPAC name is 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
PubChem CID91873465
Molecular FormulaC6H12ClO3P-2
Molecular Weight198.59 g/mol
Exact Mass198.02
IUPAC Name3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
SMILESCCC(CC)(CCl)P(=O)([O-])[O-]
InChIInChI=1S/C6H14ClO3P/c1-3-6(4-2,5-7)11(8,9)10/h3-5H2,1-2H3,(H2,8,9,10)/p-2
InChIKeyXJQVKLGARGKTMZ-UHFFFAOYSA-L
XLogP0.70
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyldecan-3-yl-dioxido-oxo-λ5-phosphane
CID 20522342
dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
CID 19347926
aluminum tris(ethyl(3-ethylhexan-3-yl)phosphinate)
CID 173155237
dioxido-oxo-(3-trimethylsilylpentan-3-yl)-λ5-phosphane
CID 91872673
dichloromethane;1,1,1-trichloropropane
CID 23328703
disodium;(1-hydroxy-1-phosphonatopropyl)phosphonic acid
CID 133053613
disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
CID 23619782
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
hexasodium;tris(ethyl-dioxido-oxo-λ5-phosphane)
CID 176986866
diethylphosphinate
CID 159335352
butane;lanthanum(3+);phosphate
CID 118953489
4-methyl-3-phosphonatohexane-3-thiol
CID 22288128

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane (CID 91873465) is 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane is CCC(CC)(CCl)P(=O)([O-])[O-].
What is the InChIKey of 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
The InChIKey is XJQVKLGARGKTMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14ClO3P/c1-3-6(4-2,5-7)11(8,9)10/h3-5H2,1-2H3,(H2,8,9,10)/p-2.
What are the key properties of 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane?
3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane has a molecular weight of 198.59 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 91873465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).