2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane

C14H32O5P2 — CID 600299

IUPAC2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
SMILESCC(C)CC(C)OP(C)(=O)OP(C)(=O)OC(C)CC(C)C
InChIInChI=1S/C14H32O5P2/c1-11(2)9-13(5)17-20(7,15)19-21(8,16)18-14(6)10-12(3)4/h11-14H,9-10H2,1-8H3
InChIKeyYPIMAXBUSLIHKM-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.55
Rot. Bonds10

About 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane

2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane (PubChem CID 600299) has the molecular formula C14H32O5P2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane.

Molecular Properties

Compound Name2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
PubChem CID600299
Molecular FormulaC14H32O5P2
Molecular Weight342.35 g/mol
Exact Mass342.17
IUPAC Name2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
SMILESCC(C)CC(C)OP(C)(=O)OP(C)(=O)OC(C)CC(C)C
InChIInChI=1S/C14H32O5P2/c1-11(2)9-13(5)17-20(7,15)19-21(8,16)18-14(6)10-12(3)4/h11-14H,9-10H2,1-8H3
InChIKeyYPIMAXBUSLIHKM-UHFFFAOYSA-N
XLogP5.55
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[dimethylphosphoryloxy(methyl)phosphoryl]oxypropane
CID 158432359
2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
CID 574770
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836
azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
magnesium 2,6-dimethylheptan-4-yl phosphate
CID 172766773
2-[ethoxy(methyl)phosphoryl]oxy-1-methoxypropane
CID 556594
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
1-di(propan-2-yloxy)phosphoryl-3-methylbutan-1-ol
CID 13148198
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
2-hydroperoxyperoxy-4-methylpentane
CID 88547567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane?
The IUPAC name of 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane (CID 600299) is 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane.
What is the SMILES notation for 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane?
The canonical SMILES for 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane is CC(C)CC(C)OP(C)(=O)OP(C)(=O)OC(C)CC(C)C.
What is the InChIKey of 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane?
The InChIKey is YPIMAXBUSLIHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5P2/c1-11(2)9-13(5)17-20(7,15)19-21(8,16)18-14(6)10-12(3)4/h11-14H,9-10H2,1-8H3.
What are the key properties of 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane?
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane has a molecular weight of 342.35 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane is sourced from PubChem (CID 600299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).