(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene

C12H21O3P — CID 143299007

IUPAC(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene
SMILESC=C(C)/C(C)=C/C=C(\CC)P(=O)(OC)OC
InChIInChI=1S/C12H21O3P/c1-7-12(16(13,14-5)15-6)9-8-11(4)10(2)3/h8-9H,2,7H2,1,3-6H3/b11-8+,12-9+
InChIKeyCPAUPDREAINFQJ-HZOWPXDZSA-N
MW244.27 g/mol
LogP4.29
Rot. Bonds6

About (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene

(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene (PubChem CID 143299007) has the molecular formula C12H21O3P and a molecular weight of 244.27 g/mol. Its IUPAC name is (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene
PubChem CID143299007
Molecular FormulaC12H21O3P
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene
SMILESC=C(C)/C(C)=C/C=C(\CC)P(=O)(OC)OC
InChIInChI=1S/C12H21O3P/c1-7-12(16(13,14-5)15-6)9-8-11(4)10(2)3/h8-9H,2,7H2,1,3-6H3/b11-8+,12-9+
InChIKeyCPAUPDREAINFQJ-HZOWPXDZSA-N
XLogP4.29
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
Dimethyl farnesylphosphonate
CID 85101259
(2E,6E)-1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,6,10-triene
CID 10041343
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
Tetramethyl (4-methylcyclohexa-1,4-diene-1,2-diyl)bisphosphonate
CID 15496483
(3E)-3-diethoxyphosphoryl-4,5-dimethylhexa-1,3-diene
CID 134917811
(3E)-3-diethoxyphosphoryl-4-methylhexa-1,3-diene
CID 134988838
diethyl [(1E,3E)-4-methylhexa-1,3-dienyl] phosphate
CID 135056884
Vsdiiuoqzqoyha-raxleyemsa-
CID 10611218
(2E,4E,6E)-1-dimethoxyphosphoryl-3,7,11-trimethyldodeca-2,4,6,10-tetraene
CID 9861568
1-(1-Dimethoxyphosphoryl-vinyl)-cyclohexene
CID 10998429

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene?
The IUPAC name of (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene (CID 143299007) is (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene?
The canonical SMILES for (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene is C=C(C)/C(C)=C/C=C(\CC)P(=O)(OC)OC.
What is the InChIKey of (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene?
The InChIKey is CPAUPDREAINFQJ-HZOWPXDZSA-N. The full InChI is InChI=1S/C12H21O3P/c1-7-12(16(13,14-5)15-6)9-8-11(4)10(2)3/h8-9H,2,7H2,1,3-6H3/b11-8+,12-9+.
What are the key properties of (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene?
(3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene has a molecular weight of 244.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-dimethoxyphosphoryl-2,3-dimethylocta-1,3,5-triene is sourced from PubChem (CID 143299007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).