(E)-octadec-9-en-1-ol;phosphoric acid

C18H39O5P — CID 18003832

IUPAC(E)-octadec-9-en-1-ol;phosphoric acid
SMILESCCCCCCCC/C=C/CCCCCCCCO.O=P(O)(O)O
InChIInChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9+;
InChIKeyJGVOASSDYQIBIF-RRABGKBLSA-N
MW366.48 g/mol
LogP5.09
Rot. Bonds15

About (E)-octadec-9-en-1-ol;phosphoric acid

(E)-octadec-9-en-1-ol;phosphoric acid (PubChem CID 18003832) has the molecular formula C18H39O5P and a molecular weight of 366.48 g/mol. Its IUPAC name is (E)-octadec-9-en-1-ol;phosphoric acid.

Molecular Properties

Compound Name(E)-octadec-9-en-1-ol;phosphoric acid
PubChem CID18003832
Molecular FormulaC18H39O5P
Molecular Weight366.48 g/mol
Exact Mass366.25
IUPAC Name(E)-octadec-9-en-1-ol;phosphoric acid
SMILESCCCCCCCC/C=C/CCCCCCCCO.O=P(O)(O)O
InChIInChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9+;
InChIKeyJGVOASSDYQIBIF-RRABGKBLSA-N
XLogP5.09
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.48
LogP ≤ 55.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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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Related Compounds

(E)-heptadec-5-en-1-ol
CID 170849266
(E)-heptadec-7-en-1-ol
CID 19790013
(5Z,11Z)-icosa-5,11-dien-1-ol
CID 51353972
henicos-10-en-1-ol
CID 86069169
(Z)-octadec-7-en-1-ol
CID 13338918
(E)-henicos-12-en-1-ol
CID 19702453
hexacos-17-en-1-ol
CID 139697197
(Z)-triacont-9-en-1-ol
CID 170943144
octadec-9-en-1-ol
CID 8927
(E)-docos-9-en-1-ol
CID 23502502
(Z)-icos-9-en-1-ol;hydrate
CID 174442786
ethanol;octadec-9-en-1-ol
CID 173109565

Frequently Asked Questions

What is the IUPAC name of (E)-octadec-9-en-1-ol;phosphoric acid?
The IUPAC name of (E)-octadec-9-en-1-ol;phosphoric acid (CID 18003832) is (E)-octadec-9-en-1-ol;phosphoric acid.
What is the SMILES notation for (E)-octadec-9-en-1-ol;phosphoric acid?
The canonical SMILES for (E)-octadec-9-en-1-ol;phosphoric acid is CCCCCCCC/C=C/CCCCCCCCO.O=P(O)(O)O.
What is the InChIKey of (E)-octadec-9-en-1-ol;phosphoric acid?
The InChIKey is JGVOASSDYQIBIF-RRABGKBLSA-N. The full InChI is InChI=1S/C18H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10,19H,2-8,11-18H2,1H3;(H3,1,2,3,4)/b10-9+;.
What are the key properties of (E)-octadec-9-en-1-ol;phosphoric acid?
(E)-octadec-9-en-1-ol;phosphoric acid has a molecular weight of 366.48 g/mol, XLogP of 5.09, 15 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-octadec-9-en-1-ol;phosphoric acid is sourced from PubChem (CID 18003832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).