cyclohexa-1,3-dien-1-yl diethyl phosphate

C10H17O4P — CID 102409695

IUPACcyclohexa-1,3-dien-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CC=CCC1
InChIInChI=1S/C10H17O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyZYWBBBAZEFNKHL-UHFFFAOYSA-N
MW232.22 g/mol
LogP3.42
Rot. Bonds6

About cyclohexa-1,3-dien-1-yl diethyl phosphate

cyclohexa-1,3-dien-1-yl diethyl phosphate (PubChem CID 102409695) has the molecular formula C10H17O4P and a molecular weight of 232.22 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl diethyl phosphate.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl diethyl phosphate
PubChem CID102409695
Molecular FormulaC10H17O4P
Molecular Weight232.22 g/mol
Exact Mass232.09
IUPAC Namecyclohexa-1,3-dien-1-yl diethyl phosphate
SMILESCCOP(=O)(OCC)OC1=CC=CCC1
InChIInChI=1S/C10H17O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3
InChIKeyZYWBBBAZEFNKHL-UHFFFAOYSA-N
XLogP3.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl [(1E,3Z)-hexa-1,3-dienyl] phosphate
CID 155635557
diethyl [(1E,3E)-4-methylhexa-1,3-dienyl] phosphate
CID 135056884
Carbon monoxide;cyclohexa-1,5-dien-1-yl methyl phosphate;iron
CID 139240168
Phosphoric acid diethyl ester hexa-3,5-dienyl ester
CID 156025269
CID 178269987
CID 178269987
1,5-Cyclohexadien-1-yl dimethyl phosphate
CID 24976317
Cyclohexa-1,3-dien-1-yl dimethyl phosphate
CID 85577953
Diethyl 5-methylidenehept-3-en-4-yl phosphate
CID 53684506
Dimethyl 5-methylidenehept-3-en-4-yl phosphate
CID 53903954
Diethyl 5-ethylnona-3,5-dien-4-yl phosphate
CID 54026515
Hepta-1,5-dien-2-yl dimethyl phosphate
CID 54152049
diethyl [(Z)-hept-2-en-3-yl] phosphate
CID 58696439

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl diethyl phosphate?
The IUPAC name of cyclohexa-1,3-dien-1-yl diethyl phosphate (CID 102409695) is cyclohexa-1,3-dien-1-yl diethyl phosphate.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl diethyl phosphate?
The canonical SMILES for cyclohexa-1,3-dien-1-yl diethyl phosphate is CCOP(=O)(OCC)OC1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-yl diethyl phosphate?
The InChIKey is ZYWBBBAZEFNKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O4P/c1-3-12-15(11,13-4-2)14-10-8-6-5-7-9-10/h5-6,8H,3-4,7,9H2,1-2H3.
What are the key properties of cyclohexa-1,3-dien-1-yl diethyl phosphate?
cyclohexa-1,3-dien-1-yl diethyl phosphate has a molecular weight of 232.22 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl diethyl phosphate is sourced from PubChem (CID 102409695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).