1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane

C15H34O5P2 — CID 14248168

IUPAC1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
SMILESCC(C)CCP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C15H34O5P2/c1-12(2)9-10-21(16,18-13(3)4)11-22(17,19-14(5)6)20-15(7)8/h12-15H,9-11H2,1-8H3
InChIKeyQMJRHSRZQPFNAV-UHFFFAOYSA-N
MW356.38 g/mol
LogP5.74
Rot. Bonds11

About 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane

1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane (PubChem CID 14248168) has the molecular formula C15H34O5P2 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane.

Molecular Properties

Compound Name1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
PubChem CID14248168
Molecular FormulaC15H34O5P2
Molecular Weight356.38 g/mol
Exact Mass356.19
IUPAC Name1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane
SMILESCC(C)CCP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChIInChI=1S/C15H34O5P2/c1-12(2)9-10-21(16,18-13(3)4)11-22(17,19-14(5)6)20-15(7)8/h12-15H,9-11H2,1-8H3
InChIKeyQMJRHSRZQPFNAV-UHFFFAOYSA-N
XLogP5.74
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.38
LogP ≤ 55.74
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]-3-methylbutane?
The IUPAC name of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane (CID 14248168) is 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane.
What is the SMILES notation for 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane?
The canonical SMILES for 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane is CC(C)CCP(=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]-3-methylbutane?
The InChIKey is QMJRHSRZQPFNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34O5P2/c1-12(2)9-10-21(16,18-13(3)4)11-22(17,19-14(5)6)20-15(7)8/h12-15H,9-11H2,1-8H3.
What are the key properties of 1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane?
1-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]-3-methylbutane has a molecular weight of 356.38 g/mol, XLogP of 5.74, 11 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]-3-methylbutane is sourced from PubChem (CID 14248168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).