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

C7H17O3P — CID 3073

IUPAC2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OC(C)C
InChIInChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKeyWOAFDHWYKSOANX-UHFFFAOYSA-N
MW180.18 g/mol
LogP2.66
Rot. Bonds4

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

2-[methyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 3073) has the molecular formula C7H17O3P and a molecular weight of 180.18 g/mol. Its IUPAC name is 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID3073
Molecular FormulaC7H17O3P
Molecular Weight180.18 g/mol
Exact Mass180.09
IUPAC Name2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESCC(C)OP(C)(=O)OC(C)C
InChIInChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3
InChIKeyWOAFDHWYKSOANX-UHFFFAOYSA-N
XLogP2.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane (CID 3073) is 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane is CC(C)OP(C)(=O)OC(C)C.
What is the InChIKey of 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is WOAFDHWYKSOANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17O3P/c1-6(2)9-11(5,8)10-7(3)4/h6-7H,1-5H3.
What are the key properties of 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[methyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 180.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 3073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).