[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate

C14H28O7P2 — CID 14086648

IUPAC[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC(C)C)OP(=O)(OCC=C)OCC(C)C
InChIInChI=1S/C14H28O7P2/c1-7-9-17-22(15,19-11-13(3)4)21-23(16,18-10-8-2)20-12-14(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyMRFJJIPRRXWVDQ-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.97
Rot. Bonds14

About [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate

[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate (PubChem CID 14086648) has the molecular formula C14H28O7P2 and a molecular weight of 370.32 g/mol. Its IUPAC name is [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate.

Molecular Properties

Compound Name[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate
PubChem CID14086648
Molecular FormulaC14H28O7P2
Molecular Weight370.32 g/mol
Exact Mass370.13
IUPAC Name[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate
SMILESC=CCOP(=O)(OCC(C)C)OP(=O)(OCC=C)OCC(C)C
InChIInChI=1S/C14H28O7P2/c1-7-9-17-22(15,19-11-13(3)4)21-23(16,18-10-8-2)20-12-14(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3
InChIKeyMRFJJIPRRXWVDQ-UHFFFAOYSA-N
XLogP4.97
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate?
The IUPAC name of [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate (CID 14086648) is [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate.
What is the SMILES notation for [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate?
The canonical SMILES for [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate is C=CCOP(=O)(OCC(C)C)OP(=O)(OCC=C)OCC(C)C.
What is the InChIKey of [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate?
The InChIKey is MRFJJIPRRXWVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O7P2/c1-7-9-17-22(15,19-11-13(3)4)21-23(16,18-10-8-2)20-12-14(5)6/h7-8,13-14H,1-2,9-12H2,3-6H3.
What are the key properties of [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate?
[2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate has a molecular weight of 370.32 g/mol, XLogP of 4.97, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylpropoxy(prop-2-enoxy)phosphoryl] 2-methylpropyl prop-2-enyl phosphate is sourced from PubChem (CID 14086648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).