oct-1-enylbenzene;phosphoric acid

C14H23O4P — CID 159316508

IUPACoct-1-enylbenzene;phosphoric acid
SMILESCCCCCCC=Cc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H20.H3O4P/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-5(2,3)4/h7-13H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyLDEYGNLOONUDPM-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.74
Rot. Bonds6

About oct-1-enylbenzene;phosphoric acid

oct-1-enylbenzene;phosphoric acid (PubChem CID 159316508) has the molecular formula C14H23O4P and a molecular weight of 286.31 g/mol. Its IUPAC name is oct-1-enylbenzene;phosphoric acid.

Molecular Properties

Compound Nameoct-1-enylbenzene;phosphoric acid
PubChem CID159316508
Molecular FormulaC14H23O4P
Molecular Weight286.31 g/mol
Exact Mass286.13
IUPAC Nameoct-1-enylbenzene;phosphoric acid
SMILESCCCCCCC=Cc1ccccc1.O=P(O)(O)O
InChIInChI=1S/C14H20.H3O4P/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-5(2,3)4/h7-13H,2-6H2,1H3;(H3,1,2,3,4)
InChIKeyLDEYGNLOONUDPM-UHFFFAOYSA-N
XLogP3.74
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-octadec-1-enyl]benzene
CID 22722345
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133
4-[(E)-non-1-enyl]benzoic acid
CID 19834795
hex-1-enylbenzene;prop-1-ene
CID 157442084
3-[(E)-dec-1-enyl]benzoic acid
CID 14233876
(E)-9-phenylnon-8-en-1-ol
CID 10489025
1-phenylheptadec-1-en-6-amine;hydrochloride
CID 173236417
6-chlorododec-1-enylbenzene
CID 150262306
6-bromododec-1-enylbenzene
CID 158445223
[(E)-3-[[(E)-dodec-1-enyl]-[(E)-2-phenylethenyl]phosphoryl]prop-2-enyl]benzene
CID 11373912
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361

Frequently Asked Questions

What is the IUPAC name of oct-1-enylbenzene;phosphoric acid?
The IUPAC name of oct-1-enylbenzene;phosphoric acid (CID 159316508) is oct-1-enylbenzene;phosphoric acid.
What is the SMILES notation for oct-1-enylbenzene;phosphoric acid?
The canonical SMILES for oct-1-enylbenzene;phosphoric acid is CCCCCCC=Cc1ccccc1.O=P(O)(O)O.
What is the InChIKey of oct-1-enylbenzene;phosphoric acid?
The InChIKey is LDEYGNLOONUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.H3O4P/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14;1-5(2,3)4/h7-13H,2-6H2,1H3;(H3,1,2,3,4).
What are the key properties of oct-1-enylbenzene;phosphoric acid?
oct-1-enylbenzene;phosphoric acid has a molecular weight of 286.31 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-enylbenzene;phosphoric acid is sourced from PubChem (CID 159316508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).