carbonic acid;prop-1-ene;triethyl phosphate

C10H23O7P — CID 174925075

IUPACcarbonic acid;prop-1-ene;triethyl phosphate
SMILESC=CC.CCOP(=O)(OCC)OCC.O=C(O)O
InChIInChI=1S/C6H15O4P.C3H6.CH2O3/c1-4-8-11(7,9-5-2)10-6-3;1-3-2;2-1(3)4/h4-6H2,1-3H3;3H,1H2,2H3;(H2,2,3,4)
InChIKeyIADYOUHTDVRGFU-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.62
Rot. Bonds6

About carbonic acid;prop-1-ene;triethyl phosphate

carbonic acid;prop-1-ene;triethyl phosphate (PubChem CID 174925075) has the molecular formula C10H23O7P and a molecular weight of 286.26 g/mol. Its IUPAC name is carbonic acid;prop-1-ene;triethyl phosphate.

Molecular Properties

Compound Namecarbonic acid;prop-1-ene;triethyl phosphate
PubChem CID174925075
Molecular FormulaC10H23O7P
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Namecarbonic acid;prop-1-ene;triethyl phosphate
SMILESC=CC.CCOP(=O)(OCC)OCC.O=C(O)O
InChIInChI=1S/C6H15O4P.C3H6.CH2O3/c1-4-8-11(7,9-5-2)10-6-3;1-3-2;2-1(3)4/h4-6H2,1-3H3;3H,1H2,2H3;(H2,2,3,4)
InChIKeyIADYOUHTDVRGFU-UHFFFAOYSA-N
XLogP3.62
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;triethyl phosphate
CID 161446956
bis(prop-2-enyl) carbonate;triethyl phosphate
CID 174813432
carbonic acid;phosphane;prop-1-ene
CID 174648548
sulfur trioxide;triethyl phosphate
CID 86745268
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
triethyl phosphate;bis(trimethylsilane)
CID 175760856
acetic acid;ethoxyethane;prop-1-ene
CID 87985609
diethyl 2-methoxyethyl phosphate
CID 547489
2-methylpropanamide;triethyl phosphate
CID 155316510
carbonic acid;prop-1-ene;trihydrofluoride
CID 174985064
aluminum;triethyl phosphate;phosphate
CID 174993171
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127

Frequently Asked Questions

What is the IUPAC name of carbonic acid;prop-1-ene;triethyl phosphate?
The IUPAC name of carbonic acid;prop-1-ene;triethyl phosphate (CID 174925075) is carbonic acid;prop-1-ene;triethyl phosphate.
What is the SMILES notation for carbonic acid;prop-1-ene;triethyl phosphate?
The canonical SMILES for carbonic acid;prop-1-ene;triethyl phosphate is C=CC.CCOP(=O)(OCC)OCC.O=C(O)O.
What is the InChIKey of carbonic acid;prop-1-ene;triethyl phosphate?
The InChIKey is IADYOUHTDVRGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O4P.C3H6.CH2O3/c1-4-8-11(7,9-5-2)10-6-3;1-3-2;2-1(3)4/h4-6H2,1-3H3;3H,1H2,2H3;(H2,2,3,4).
What are the key properties of carbonic acid;prop-1-ene;triethyl phosphate?
carbonic acid;prop-1-ene;triethyl phosphate has a molecular weight of 286.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;prop-1-ene;triethyl phosphate is sourced from PubChem (CID 174925075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).