(Z)-hexadec-9-enoic acid;phosphoric acid

C16H33O6P — CID 155410980

IUPAC(Z)-hexadec-9-enoic acid;phosphoric acid
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C16H30O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h7-8H,2-6,9-15H2,1H3,(H,17,18);(H3,1,2,3,4)/b8-7-;
InChIKeyVIFKTNNPBGFXAG-CFYXSCKTSA-N
MW352.41 g/mol
LogP4.40
Rot. Bonds13

About (Z)-hexadec-9-enoic acid;phosphoric acid

(Z)-hexadec-9-enoic acid;phosphoric acid (PubChem CID 155410980) has the molecular formula C16H33O6P and a molecular weight of 352.41 g/mol. Its IUPAC name is (Z)-hexadec-9-enoic acid;phosphoric acid.

Molecular Properties

Compound Name(Z)-hexadec-9-enoic acid;phosphoric acid
PubChem CID155410980
Molecular FormulaC16H33O6P
Molecular Weight352.41 g/mol
Exact Mass352.20
IUPAC Name(Z)-hexadec-9-enoic acid;phosphoric acid
SMILESCCCCCC/C=C\CCCCCCCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C16H30O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h7-8H,2-6,9-15H2,1H3,(H,17,18);(H3,1,2,3,4)/b8-7-;
InChIKeyVIFKTNNPBGFXAG-CFYXSCKTSA-N
XLogP4.40
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.40
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

bis((Z)-octadec-9-enoic acid);phosphoric acid
CID 175722517
tetradec-8-enoic acid
CID 54338786
docos-14-enoic acid
CID 54090186
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832

Frequently Asked Questions

What is the IUPAC name of (Z)-hexadec-9-enoic acid;phosphoric acid?
The IUPAC name of (Z)-hexadec-9-enoic acid;phosphoric acid (CID 155410980) is (Z)-hexadec-9-enoic acid;phosphoric acid.
What is the SMILES notation for (Z)-hexadec-9-enoic acid;phosphoric acid?
The canonical SMILES for (Z)-hexadec-9-enoic acid;phosphoric acid is CCCCCC/C=C\CCCCCCCC(=O)O.O=P(O)(O)O.
What is the InChIKey of (Z)-hexadec-9-enoic acid;phosphoric acid?
The InChIKey is VIFKTNNPBGFXAG-CFYXSCKTSA-N. The full InChI is InChI=1S/C16H30O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-5(2,3)4/h7-8H,2-6,9-15H2,1H3,(H,17,18);(H3,1,2,3,4)/b8-7-;.
What are the key properties of (Z)-hexadec-9-enoic acid;phosphoric acid?
(Z)-hexadec-9-enoic acid;phosphoric acid has a molecular weight of 352.41 g/mol, XLogP of 4.40, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hexadec-9-enoic acid;phosphoric acid is sourced from PubChem (CID 155410980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).