2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane

C11H25O3P — CID 175524065

IUPAC2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)COP(=O)(CC(C)C)OC(C)C
InChIInChI=1S/C11H25O3P/c1-9(2)7-13-15(12,8-10(3)4)14-11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyMKFZKRLUJCWWFS-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.93
Rot. Bonds7

About 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane

2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 175524065) has the molecular formula C11H25O3P and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID175524065
Molecular FormulaC11H25O3P
Molecular Weight236.29 g/mol
Exact Mass236.15
IUPAC Name2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)COP(=O)(CC(C)C)OC(C)C
InChIInChI=1S/C11H25O3P/c1-9(2)7-13-15(12,8-10(3)4)14-11(5)6/h9-11H,7-8H2,1-6H3
InChIKeyMKFZKRLUJCWWFS-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylpropyl dipropan-2-yl phosphate
CID 10728615
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane
CID 14248164
2-methylpropyl phosphate
CID 22629809
1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
disodium;2-methylpropoxy-dioxido-sulfanylidene-λ5-phosphane
CID 90022851
1-[bis(2-methylpropoxy)phosphorylsulfanyl-(2-methylpropoxy)phosphoryl]oxy-2-methylpropane
CID 134977347
2-[ethyl-[ethyl(propan-2-yloxy)phosphoryl]oxyphosphoryl]oxypropane
CID 134976793
2-[di(propan-2-yloxy)phosphorylmethylsulfonylmethyl-propan-2-yloxyphosphoryl]oxypropane
CID 102166253
2-methyl-1-propan-2-ylperoxypropane
CID 123988980
methylidene-(2-methylpropyl)-di(propan-2-yloxy)-λ5-phosphane
CID 167648199
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
CID 14248168
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane (CID 175524065) is 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)COP(=O)(CC(C)C)OC(C)C.
What is the InChIKey of 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is MKFZKRLUJCWWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O3P/c1-9(2)7-13-15(12,8-10(3)4)14-11(5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane?
2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 236.29 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methylpropyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 175524065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).