8-dibutoxyphosphoryloct-1-ene

C16H33O3P — CID 535191

IUPAC8-dibutoxyphosphoryloct-1-ene
SMILESC=CCCCCCCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C16H33O3P/c1-4-7-10-11-12-13-16-20(17,18-14-8-5-2)19-15-9-6-3/h4H,1,5-16H2,2-3H3
InChIKeyMCJXIRWDQBVJOC-UHFFFAOYSA-N
MW304.41 g/mol
LogP5.95
Rot. Bonds15

About 8-dibutoxyphosphoryloct-1-ene

8-dibutoxyphosphoryloct-1-ene (PubChem CID 535191) has the molecular formula C16H33O3P and a molecular weight of 304.41 g/mol. Its IUPAC name is 8-dibutoxyphosphoryloct-1-ene.

Molecular Properties

Compound Name8-dibutoxyphosphoryloct-1-ene
PubChem CID535191
Molecular FormulaC16H33O3P
Molecular Weight304.41 g/mol
Exact Mass304.22
IUPAC Name8-dibutoxyphosphoryloct-1-ene
SMILESC=CCCCCCCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C16H33O3P/c1-4-7-10-11-12-13-16-20(17,18-14-8-5-2)19-15-9-6-3/h4H,1,5-16H2,2-3H3
InChIKeyMCJXIRWDQBVJOC-UHFFFAOYSA-N
XLogP5.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-dibutoxyphosphoryloct-1-ene?
The IUPAC name of 8-dibutoxyphosphoryloct-1-ene (CID 535191) is 8-dibutoxyphosphoryloct-1-ene.
What is the SMILES notation for 8-dibutoxyphosphoryloct-1-ene?
The canonical SMILES for 8-dibutoxyphosphoryloct-1-ene is C=CCCCCCCP(=O)(OCCCC)OCCCC.
What is the InChIKey of 8-dibutoxyphosphoryloct-1-ene?
The InChIKey is MCJXIRWDQBVJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O3P/c1-4-7-10-11-12-13-16-20(17,18-14-8-5-2)19-15-9-6-3/h4H,1,5-16H2,2-3H3.
What are the key properties of 8-dibutoxyphosphoryloct-1-ene?
8-dibutoxyphosphoryloct-1-ene has a molecular weight of 304.41 g/mol, XLogP of 5.95, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibutoxyphosphoryloct-1-ene is sourced from PubChem (CID 535191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).