(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid

C18H34O4Si — CID 177420728

IUPAC(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid
SMILESCC(C)(C)C(=O)OC/C(=C/CCCCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-18(2,3)17(21)22-13-15(14-23(4,5)6)11-9-7-8-10-12-16(19)20/h11H,7-10,12-14H2,1-6H3,(H,19,20)/b15-11-
InChIKeyMKQFXHACLVEKPO-PTNGSMBKSA-N
MW342.55 g/mol
LogP4.88
Rot. Bonds10

About (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid

(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid (PubChem CID 177420728) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid.

Molecular Properties

Compound Name(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid
PubChem CID177420728
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Name(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid
SMILESCC(C)(C)C(=O)OC/C(=C/CCCCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-18(2,3)17(21)22-13-15(14-23(4,5)6)11-9-7-8-10-12-16(19)20/h11H,7-10,12-14H2,1-6H3,(H,19,20)/b15-11-
InChIKeyMKQFXHACLVEKPO-PTNGSMBKSA-N
XLogP4.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)silyl (E)-10-hydroxy-9-methyldec-8-enoate
CID 11089606
(z)-11-(Heptanoyloxy)undec-9-enoic acid
CID 132277899
(e)-11-(Heptanoyloxy) undec-9-enoic acid
CID 132527134
[(Z)-16-hydroxy-2-(trimethylsilylmethyl)hexadec-2-enyl] acetate
CID 10883525
[(Z)-10-hydroxy-2-(trimethylsilylmethyl)dec-2-enyl] acetate
CID 177435753
(Z)-9-(acetyloxymethyl)-10-trimethylsilyldec-8-enoic acid
CID 177438122
[(Z)-9-hydroxy-2-(trimethylsilylmethyl)non-2-enyl] 2,2-dimethylpropanoate
CID 177549037
3,7-Dimethylocta-2,6-dienyl 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate
CID 53975410
[(2E)-3,7-dimethylocta-2,6-dienyl] 11-[dimethyl(trimethylsilyloxy)silyl]undecanoate
CID 88228479
hexadecanoic acid;[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hexadecanoate
CID 88333720
octadecanoic acid;[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] octadecanoate
CID 88334231
hexadecanoic acid;[(2Z,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] hexadecanoate
CID 88376285

Frequently Asked Questions

What is the IUPAC name of (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid?
The IUPAC name of (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid (CID 177420728) is (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid.
What is the SMILES notation for (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid?
The canonical SMILES for (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid is CC(C)(C)C(=O)OC/C(=C/CCCCCC(=O)O)C[Si](C)(C)C.
What is the InChIKey of (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid?
The InChIKey is MKQFXHACLVEKPO-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-18(2,3)17(21)22-13-15(14-23(4,5)6)11-9-7-8-10-12-16(19)20/h11H,7-10,12-14H2,1-6H3,(H,19,20)/b15-11-.
What are the key properties of (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid?
(Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid has a molecular weight of 342.55 g/mol, XLogP of 4.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-(2,2-dimethylpropanoyloxymethyl)-9-trimethylsilylnon-7-enoic acid is sourced from PubChem (CID 177420728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).