dipropoxyphosphoryl prop-2-enyl propyl phosphate

C12H26O7P2 — CID 14086657

IUPACdipropoxyphosphoryl prop-2-enyl propyl phosphate
SMILESC=CCOP(=O)(OCCC)OP(=O)(OCCC)OCCC
InChIInChI=1S/C12H26O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5H,1,6-12H2,2-4H3
InChIKeyCQUIVCPOWMGHDO-UHFFFAOYSA-N
MW344.28 g/mol
LogP4.70
Rot. Bonds14

About dipropoxyphosphoryl prop-2-enyl propyl phosphate

dipropoxyphosphoryl prop-2-enyl propyl phosphate (PubChem CID 14086657) has the molecular formula C12H26O7P2 and a molecular weight of 344.28 g/mol. Its IUPAC name is dipropoxyphosphoryl prop-2-enyl propyl phosphate.

Molecular Properties

Compound Namedipropoxyphosphoryl prop-2-enyl propyl phosphate
PubChem CID14086657
Molecular FormulaC12H26O7P2
Molecular Weight344.28 g/mol
Exact Mass344.12
IUPAC Namedipropoxyphosphoryl prop-2-enyl propyl phosphate
SMILESC=CCOP(=O)(OCCC)OP(=O)(OCCC)OCCC
InChIInChI=1S/C12H26O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5H,1,6-12H2,2-4H3
InChIKeyCQUIVCPOWMGHDO-UHFFFAOYSA-N
XLogP4.70
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.28
LogP ≤ 54.70
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 dipropoxyphosphoryl prop-2-enyl propyl phosphate?
The IUPAC name of dipropoxyphosphoryl prop-2-enyl propyl phosphate (CID 14086657) is dipropoxyphosphoryl prop-2-enyl propyl phosphate.
What is the SMILES notation for dipropoxyphosphoryl prop-2-enyl propyl phosphate?
The canonical SMILES for dipropoxyphosphoryl prop-2-enyl propyl phosphate is C=CCOP(=O)(OCCC)OP(=O)(OCCC)OCCC.
What is the InChIKey of dipropoxyphosphoryl prop-2-enyl propyl phosphate?
The InChIKey is CQUIVCPOWMGHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O7P2/c1-5-9-15-20(13,16-10-6-2)19-21(14,17-11-7-3)18-12-8-4/h5H,1,6-12H2,2-4H3.
What are the key properties of dipropoxyphosphoryl prop-2-enyl propyl phosphate?
dipropoxyphosphoryl prop-2-enyl propyl phosphate has a molecular weight of 344.28 g/mol, XLogP of 4.70, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyphosphoryl prop-2-enyl propyl phosphate is sourced from PubChem (CID 14086657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).