bis(2-di(propan-2-yl)phosphoryloxypropane);methane

C20H50O4P2 — CID 160822091

IUPACbis(2-di(propan-2-yl)phosphoryloxypropane);methane
SMILESC.C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C
InChIInChI=1S/2C9H21O2P.2CH4/c2*1-7(2)11-12(10,8(3)4)9(5)6;;/h2*7-9H,1-6H3;2*1H4
InChIKeySFRIBZMGGYUDMI-UHFFFAOYSA-N
MW416.56 g/mol
LogP8.28
Rot. Bonds8

About bis(2-di(propan-2-yl)phosphoryloxypropane);methane

bis(2-di(propan-2-yl)phosphoryloxypropane);methane (PubChem CID 160822091) has the molecular formula C20H50O4P2 and a molecular weight of 416.56 g/mol. Its IUPAC name is bis(2-di(propan-2-yl)phosphoryloxypropane);methane.

Molecular Properties

Compound Namebis(2-di(propan-2-yl)phosphoryloxypropane);methane
PubChem CID160822091
Molecular FormulaC20H50O4P2
Molecular Weight416.56 g/mol
Exact Mass416.32
IUPAC Namebis(2-di(propan-2-yl)phosphoryloxypropane);methane
SMILESC.C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C
InChIInChI=1S/2C9H21O2P.2CH4/c2*1-7(2)11-12(10,8(3)4)9(5)6;;/h2*7-9H,1-6H3;2*1H4
InChIKeySFRIBZMGGYUDMI-UHFFFAOYSA-N
XLogP8.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(1-di(propan-2-yl)phosphoryloxy-2,2-dimethylpropane);bis(2-di(propan-2-yl)phosphoryloxypropane)
CID 159940228
2-dimethylphosphoryloxypropane
CID 12572720
2-[methoxy(propan-2-yl)phosphoryl]propane
CID 15162241
methane;methyl dipropan-2-yl phosphate
CID 158565801
1,2,3-tris[di(propan-2-yl)phosphoryloxy]propane
CID 23081759
2-[(chloroamino)-propan-2-yloxyphosphoryl]oxypropane
CID 175183070
copper bis(dipropan-2-yl phosphate)
CID 159825108
di(propan-2-yl)phosphoryl hypochlorite
CID 175525433
1,2-bis[di(propan-2-yl)phosphoryloxy]butane
CID 23081866
CID 175885039
CID 175885039
potassium;hydride;propan-2-yl dihydrogen phosphate
CID 173374044
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672

Frequently Asked Questions

What is the IUPAC name of bis(2-di(propan-2-yl)phosphoryloxypropane);methane?
The IUPAC name of bis(2-di(propan-2-yl)phosphoryloxypropane);methane (CID 160822091) is bis(2-di(propan-2-yl)phosphoryloxypropane);methane.
What is the SMILES notation for bis(2-di(propan-2-yl)phosphoryloxypropane);methane?
The canonical SMILES for bis(2-di(propan-2-yl)phosphoryloxypropane);methane is C.C.CC(C)OP(=O)(C(C)C)C(C)C.CC(C)OP(=O)(C(C)C)C(C)C.
What is the InChIKey of bis(2-di(propan-2-yl)phosphoryloxypropane);methane?
The InChIKey is SFRIBZMGGYUDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H21O2P.2CH4/c2*1-7(2)11-12(10,8(3)4)9(5)6;;/h2*7-9H,1-6H3;2*1H4.
What are the key properties of bis(2-di(propan-2-yl)phosphoryloxypropane);methane?
bis(2-di(propan-2-yl)phosphoryloxypropane);methane has a molecular weight of 416.56 g/mol, XLogP of 8.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-di(propan-2-yl)phosphoryloxypropane);methane is sourced from PubChem (CID 160822091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).