diethyl [(Z)-pent-2-enyl] phosphate

C9H19O4P — CID 135072938

IUPACdiethyl [(Z)-pent-2-enyl] phosphate
SMILESCC/C=C\COP(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h7-8H,4-6,9H2,1-3H3/b8-7-
InChIKeyXVGRJGYCAMJKJL-FPLPWBNLSA-N
MW222.22 g/mol
LogP3.15
Rot. Bonds8

About diethyl [(Z)-pent-2-enyl] phosphate

diethyl [(Z)-pent-2-enyl] phosphate (PubChem CID 135072938) has the molecular formula C9H19O4P and a molecular weight of 222.22 g/mol. Its IUPAC name is diethyl [(Z)-pent-2-enyl] phosphate.

Molecular Properties

Compound Namediethyl [(Z)-pent-2-enyl] phosphate
PubChem CID135072938
Molecular FormulaC9H19O4P
Molecular Weight222.22 g/mol
Exact Mass222.10
IUPAC Namediethyl [(Z)-pent-2-enyl] phosphate
SMILESCC/C=C\COP(=O)(OCC)OCC
InChIInChI=1S/C9H19O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h7-8H,4-6,9H2,1-3H3/b8-7-
InChIKeyXVGRJGYCAMJKJL-FPLPWBNLSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Trans,6-trans-farnesyl diphosphate(3-)
CID 15983959
Geranyl diphosphate(3-)
CID 19379894
2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, 1-(dihydrogen phosphate), (2E,6E)-
CID 10357552
Farnesyl monophosphate
CID 6440220
(2e,6e)-7,11-Dimethyldodeca-2,6,10-Trien-1-Yl Trihydrogen Diphosphate
CID 15818142
(2E,6E)-Farnesyl phosphate
CID 46926298
2-cis,6-trans-Farnesyl diphosphate(3-)
CID 25245621
Neryl diphosphate(3-)
CID 25245689
(2Z,6Z)-farnesyl diphosphate
CID 45479402
Geranyl phosphate
CID 5280394
(E)-2-methylgeranyl diphosphate(3-)
CID 51351721
Geranyl monophosphate
CID 52940120

Frequently Asked Questions

What is the IUPAC name of diethyl [(Z)-pent-2-enyl] phosphate?
The IUPAC name of diethyl [(Z)-pent-2-enyl] phosphate (CID 135072938) is diethyl [(Z)-pent-2-enyl] phosphate.
What is the SMILES notation for diethyl [(Z)-pent-2-enyl] phosphate?
The canonical SMILES for diethyl [(Z)-pent-2-enyl] phosphate is CC/C=C\COP(=O)(OCC)OCC.
What is the InChIKey of diethyl [(Z)-pent-2-enyl] phosphate?
The InChIKey is XVGRJGYCAMJKJL-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H19O4P/c1-4-7-8-9-13-14(10,11-5-2)12-6-3/h7-8H,4-6,9H2,1-3H3/b8-7-.
What are the key properties of diethyl [(Z)-pent-2-enyl] phosphate?
diethyl [(Z)-pent-2-enyl] phosphate has a molecular weight of 222.22 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl [(Z)-pent-2-enyl] phosphate is sourced from PubChem (CID 135072938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).