1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane

C14H32O5P2 — CID 14248164

IUPAC1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane
SMILESCC(C)CP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O5P2/c1-11(2)9-20(15,17-12(3)4)10-21(16,18-13(5)6)19-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyONLCTMNUVCDQIK-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.35
Rot. Bonds10

About 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane

1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane (PubChem CID 14248164) has the molecular formula C14H32O5P2 and a molecular weight of 342.35 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane
PubChem CID14248164
Molecular FormulaC14H32O5P2
Molecular Weight342.35 g/mol
Exact Mass342.17
IUPAC Name1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane
SMILESCC(C)CP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C14H32O5P2/c1-11(2)9-20(15,17-12(3)4)10-21(16,18-13(5)6)19-14(7)8/h11-14H,9-10H2,1-8H3
InChIKeyONLCTMNUVCDQIK-UHFFFAOYSA-N
XLogP5.35
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 ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane?
The IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane (CID 14248164) is 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane.
What is the SMILES notation for 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane?
The canonical SMILES for 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane is CC(C)CP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C.
What is the InChIKey of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane?
The InChIKey is ONLCTMNUVCDQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O5P2/c1-11(2)9-20(15,17-12(3)4)10-21(16,18-13(5)6)19-14(7)8/h11-14H,9-10H2,1-8H3.
What are the key properties of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane?
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane has a molecular weight of 342.35 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-2-methylpropane is sourced from PubChem (CID 14248164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).