(Z)-octadec-9-enoic acid;styrene

C26H42O2 — CID 169085427

IUPAC(Z)-octadec-9-enoic acid;styrene
SMILESC=Cc1ccccc1.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C8H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-6-4-3-5-7-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-7H,1H2/b10-9-;
InChIKeyLWQQHSCXBBRYIL-KVVVOXFISA-N
MW386.62 g/mol
LogP8.44
Rot. Bonds16

About (Z)-octadec-9-enoic acid;styrene

(Z)-octadec-9-enoic acid;styrene (PubChem CID 169085427) has the molecular formula C26H42O2 and a molecular weight of 386.62 g/mol. Its IUPAC name is (Z)-octadec-9-enoic acid;styrene.

Molecular Properties

Compound Name(Z)-octadec-9-enoic acid;styrene
PubChem CID169085427
Molecular FormulaC26H42O2
Molecular Weight386.62 g/mol
Exact Mass386.32
IUPAC Name(Z)-octadec-9-enoic acid;styrene
SMILESC=Cc1ccccc1.CCCCCCCC/C=C\CCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C8H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-6-4-3-5-7-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-7H,1H2/b10-9-;
InChIKeyLWQQHSCXBBRYIL-KVVVOXFISA-N
XLogP8.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

formaldehyde;octadec-9-enoic acid
CID 159210703
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
octadec-9-enoic acid;phenylmethanol
CID 67916229
ethene;octadec-9-enoic acid
CID 173100265
(E)-hexadec-8-enoic acid
CID 6430788
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
triacont-6-enoic acid
CID 169276816
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136

Frequently Asked Questions

What is the IUPAC name of (Z)-octadec-9-enoic acid;styrene?
The IUPAC name of (Z)-octadec-9-enoic acid;styrene (CID 169085427) is (Z)-octadec-9-enoic acid;styrene.
What is the SMILES notation for (Z)-octadec-9-enoic acid;styrene?
The canonical SMILES for (Z)-octadec-9-enoic acid;styrene is C=Cc1ccccc1.CCCCCCCC/C=C\CCCCCCCC(=O)O.
What is the InChIKey of (Z)-octadec-9-enoic acid;styrene?
The InChIKey is LWQQHSCXBBRYIL-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O2.C8H8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-8-6-4-3-5-7-8/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-7H,1H2/b10-9-;.
What are the key properties of (Z)-octadec-9-enoic acid;styrene?
(Z)-octadec-9-enoic acid;styrene has a molecular weight of 386.62 g/mol, XLogP of 8.44, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-octadec-9-enoic acid;styrene is sourced from PubChem (CID 169085427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).