chloro-methyl-(2-methylpropoxy)phosphane;ethane

C7H18ClOP — CID 144828802

IUPACchloro-methyl-(2-methylpropoxy)phosphane;ethane
SMILESCC.CC(C)COP(C)Cl
InChIInChI=1S/C5H12ClOP.C2H6/c1-5(2)4-7-8(3)6;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyXNJXBTWWSDDOFF-UHFFFAOYSA-N
MW184.65 g/mol
LogP3.87
Rot. Bonds3

About chloro-methyl-(2-methylpropoxy)phosphane;ethane

chloro-methyl-(2-methylpropoxy)phosphane;ethane (PubChem CID 144828802) has the molecular formula C7H18ClOP and a molecular weight of 184.65 g/mol. Its IUPAC name is chloro-methyl-(2-methylpropoxy)phosphane;ethane.

Molecular Properties

Compound Namechloro-methyl-(2-methylpropoxy)phosphane;ethane
PubChem CID144828802
Molecular FormulaC7H18ClOP
Molecular Weight184.65 g/mol
Exact Mass184.08
IUPAC Namechloro-methyl-(2-methylpropoxy)phosphane;ethane
SMILESCC.CC(C)COP(C)Cl
InChIInChI=1S/C5H12ClOP.C2H6/c1-5(2)4-7-8(3)6;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyXNJXBTWWSDDOFF-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.65
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ruthenium;tetrakis(tris(2-methylpropyl) phosphite)
CID 173315514
magnesium 2-methylpropyl phosphite
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antimony(3+);tris(bis(2-methylpropyl) phosphite)
CID 23464204
3-[chloro(methyl)phosphanyl]oxypropanenitrile
CID 20605747
ethane;2-methyl-1-propan-2-yloxypropane
CID 143798682
ethane;2-methyl-1-propan-2-yloxypropane
CID 145385710
1-dichlorophosphanylpropan-2-ol
CID 175474744
methane;2-methyl-1-(2-methylpropoxy)propane
CID 162245040
chloro-(2-isocyanoethoxy)-methylphosphane;2-isocyanoethoxy(dimethyl)phosphane
CID 163663485
dichloro-bis(2-methylpropoxy)silane
CID 23432777
2-methylpropoxymethyl hypochlorite
CID 122692331
2-methylpropoxyaluminum(2+) dibromide
CID 19936986

Frequently Asked Questions

What is the IUPAC name of chloro-methyl-(2-methylpropoxy)phosphane;ethane?
The IUPAC name of chloro-methyl-(2-methylpropoxy)phosphane;ethane (CID 144828802) is chloro-methyl-(2-methylpropoxy)phosphane;ethane.
What is the SMILES notation for chloro-methyl-(2-methylpropoxy)phosphane;ethane?
The canonical SMILES for chloro-methyl-(2-methylpropoxy)phosphane;ethane is CC.CC(C)COP(C)Cl.
What is the InChIKey of chloro-methyl-(2-methylpropoxy)phosphane;ethane?
The InChIKey is XNJXBTWWSDDOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClOP.C2H6/c1-5(2)4-7-8(3)6;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of chloro-methyl-(2-methylpropoxy)phosphane;ethane?
chloro-methyl-(2-methylpropoxy)phosphane;ethane has a molecular weight of 184.65 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-(2-methylpropoxy)phosphane;ethane is sourced from PubChem (CID 144828802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).