1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene

C14H27O3P — CID 123175625

IUPAC1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
SMILESCCOP(=O)(C=CC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3
InChIKeyWVRFOPQORKETDP-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.15
Rot. Bonds9

About 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene

1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene (PubChem CID 123175625) has the molecular formula C14H27O3P and a molecular weight of 274.34 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
PubChem CID123175625
Molecular FormulaC14H27O3P
Molecular Weight274.34 g/mol
Exact Mass274.17
IUPAC Name1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene
SMILESCCOP(=O)(C=CC(C)CCC=C(C)C)OCC
InChIInChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3
InChIKeyWVRFOPQORKETDP-UHFFFAOYSA-N
XLogP5.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
CID 11830711
N-[(E)-4-diethoxyphosphorylbut-3-en-2-yl]acetamide
CID 15270678
1-bromo-3,7-dimethylocta-1,6-diene
CID 154265835
2,6-dimethylhept-5-enal
CID 158364508
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
(6E,10E)-14,14-bis(diethoxyphosphoryl)-2,6,10-trimethyltetradeca-2,6,10-triene
CID 139611461
(1E,3E)-4-diethoxyphosphoryl-2-methylbuta-1,3-dien-1-ol
CID 15453808
methyl 5,9-dimethyldeca-3,8-dienoate
CID 71334771
CID 134857162
CID 134857162
butyl 4,8-dimethylnona-2,7-dienoate
CID 123347847
(2Z)-4,8-dimethylnona-2,7-dienenitrile
CID 24972380

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene?
The IUPAC name of 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene (CID 123175625) is 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene.
What is the SMILES notation for 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene?
The canonical SMILES for 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene is CCOP(=O)(C=CC(C)CCC=C(C)C)OCC.
What is the InChIKey of 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene?
The InChIKey is WVRFOPQORKETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27O3P/c1-6-16-18(15,17-7-2)12-11-14(5)10-8-9-13(3)4/h9,11-12,14H,6-8,10H2,1-5H3.
What are the key properties of 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene?
1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene has a molecular weight of 274.34 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-3,7-dimethylocta-1,6-diene is sourced from PubChem (CID 123175625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).