diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate

C11H19O4P — CID 102268062

IUPACdiethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC=C1C
InChIInChI=1S/C11H19O4P/c1-4-13-16(12,14-5-2)15-11-9-7-6-8-10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyPGNHLLFNMKDPLW-UHFFFAOYSA-N
MW246.24 g/mol
LogP3.81
Rot. Bonds6

About diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate

diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate (PubChem CID 102268062) has the molecular formula C11H19O4P and a molecular weight of 246.24 g/mol. Its IUPAC name is diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate.

Molecular Properties

Compound Namediethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
PubChem CID102268062
Molecular FormulaC11H19O4P
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Namediethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate
SMILESCCOP(=O)(OCC)OC1=CCCC=C1C
InChIInChI=1S/C11H19O4P/c1-4-13-16(12,14-5-2)15-11-9-7-6-8-10(11)3/h8-9H,4-7H2,1-3H3
InChIKeyPGNHLLFNMKDPLW-UHFFFAOYSA-N
XLogP3.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 53.81
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

[3,5-bis(diethoxyphosphoryloxy)phenyl] diethyl phosphate
CID 101168778
hexadecakis(oxygen(2-));rhenium;thorium(4+);tetrakis(triethyl phosphate)
CID 139152951
diethyl (4-formylphenyl) phosphate
CID 10539111
diethyl (2,3,4,5,6-pentafluorophenyl) phosphate
CID 15396735
(2,4-dichloro-6-formylphenyl) diethyl phosphate
CID 71394264
(2,5-ditert-butyl-4-diethoxyphosphoryloxyphenyl) diethyl phosphate
CID 58527776
diethyl [1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-3,4-dihydro-2H-pyridin-6-yl] phosphate
CID 11812219
(4-chloro-3-methylphenyl) diethyl phosphate
CID 118592997
diethyl [(1R)-2-iodocyclopent-2-en-1-yl] phosphate
CID 101240524
diethyl [5,11,17,23,29,35-hexatert-butyl-39,41-bis(diethoxyphosphoryloxy)-38,40,42-trimethoxy-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaenyl] phosphate
CID 10034467
[(8aS)-8a-methyl-6-oxo-3,4,7,8-tetrahydronaphthalen-1-yl] diethyl phosphate
CID 102574215
triethyl phosphate;bis(trimethylsilane)
CID 175760856

Frequently Asked Questions

What is the IUPAC name of diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate?
The IUPAC name of diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate (CID 102268062) is diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate.
What is the SMILES notation for diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate?
The canonical SMILES for diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate is CCOP(=O)(OCC)OC1=CCCC=C1C.
What is the InChIKey of diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate?
The InChIKey is PGNHLLFNMKDPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O4P/c1-4-13-16(12,14-5-2)15-11-9-7-6-8-10(11)3/h8-9H,4-7H2,1-3H3.
What are the key properties of diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate?
diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate has a molecular weight of 246.24 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (6-methylcyclohexa-1,5-dien-1-yl) phosphate is sourced from PubChem (CID 102268062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).