bis(prop-2-enyl) carbonate;triethyl phosphate

C13H25O7P — CID 174813432

IUPACbis(prop-2-enyl) carbonate;triethyl phosphate
SMILESC=CCOC(=O)OCC=C.CCOP(=O)(OCC)OCC
InChIInChI=1S/C7H10O3.C6H15O4P/c1-3-5-9-7(8)10-6-4-2;1-4-8-11(7,9-5-2)10-6-3/h3-4H,1-2,5-6H2;4-6H2,1-3H3
InChIKeyHGNUUAGAHFWOFA-UHFFFAOYSA-N
MW324.31 g/mol
LogP3.72
Rot. Bonds10

About bis(prop-2-enyl) carbonate;triethyl phosphate

bis(prop-2-enyl) carbonate;triethyl phosphate (PubChem CID 174813432) has the molecular formula C13H25O7P and a molecular weight of 324.31 g/mol. Its IUPAC name is bis(prop-2-enyl) carbonate;triethyl phosphate.

Molecular Properties

Compound Namebis(prop-2-enyl) carbonate;triethyl phosphate
PubChem CID174813432
Molecular FormulaC13H25O7P
Molecular Weight324.31 g/mol
Exact Mass324.13
IUPAC Namebis(prop-2-enyl) carbonate;triethyl phosphate
SMILESC=CCOC(=O)OCC=C.CCOP(=O)(OCC)OCC
InChIInChI=1S/C7H10O3.C6H15O4P/c1-3-5-9-7(8)10-6-4-2;1-4-8-11(7,9-5-2)10-6-3/h3-4H,1-2,5-6H2;4-6H2,1-3H3
InChIKeyHGNUUAGAHFWOFA-UHFFFAOYSA-N
XLogP3.72
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 53.72
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'}

Analyze bis(prop-2-enyl) carbonate;triethyl phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethoxyphosphorylmethyl prop-2-enyl carbonate
CID 23420194
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
bis(prop-2-enyl) carbonate;ethene
CID 87465968
acetic acid;triethyl phosphate
CID 161446956
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
CID 101138901
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
2-methylpropanamide;triethyl phosphate
CID 155316510
ethoxyethane;oxiran-2-ylmethyl prop-2-enyl carbonate
CID 87577916
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
bis(prop-2-enyl) carbonate;isocyanic acid
CID 88769513
2-methylpropyl prop-2-enyl carbonate
CID 6420250
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147

Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) carbonate;triethyl phosphate?
The IUPAC name of bis(prop-2-enyl) carbonate;triethyl phosphate (CID 174813432) is bis(prop-2-enyl) carbonate;triethyl phosphate.
What is the SMILES notation for bis(prop-2-enyl) carbonate;triethyl phosphate?
The canonical SMILES for bis(prop-2-enyl) carbonate;triethyl phosphate is C=CCOC(=O)OCC=C.CCOP(=O)(OCC)OCC.
What is the InChIKey of bis(prop-2-enyl) carbonate;triethyl phosphate?
The InChIKey is HGNUUAGAHFWOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C6H15O4P/c1-3-5-9-7(8)10-6-4-2;1-4-8-11(7,9-5-2)10-6-3/h3-4H,1-2,5-6H2;4-6H2,1-3H3.
What are the key properties of bis(prop-2-enyl) carbonate;triethyl phosphate?
bis(prop-2-enyl) carbonate;triethyl phosphate has a molecular weight of 324.31 g/mol, XLogP of 3.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) carbonate;triethyl phosphate is sourced from PubChem (CID 174813432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).