(Z)-2-trimethylsilylnon-2-enoic acid

C12H24O2Si — CID 10988027

IUPAC(Z)-2-trimethylsilylnon-2-enoic acid
SMILESCCCCCC/C=C(/C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-5-6-7-8-9-10-11(12(13)14)15(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)/b11-10-
InChIKeyROUQQTADAQBSSZ-KHPPLWFESA-N
MW228.41 g/mol
LogP3.85
Rot. Bonds7

About (Z)-2-trimethylsilylnon-2-enoic acid

(Z)-2-trimethylsilylnon-2-enoic acid (PubChem CID 10988027) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (Z)-2-trimethylsilylnon-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-trimethylsilylnon-2-enoic acid
PubChem CID10988027
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(Z)-2-trimethylsilylnon-2-enoic acid
SMILESCCCCCC/C=C(/C(=O)O)[Si](C)(C)C
InChIInChI=1S/C12H24O2Si/c1-5-6-7-8-9-10-11(12(13)14)15(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)/b11-10-
InChIKeyROUQQTADAQBSSZ-KHPPLWFESA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[dichloro(methyl)silyl]undec-2-enoic acid
CID 174052681
2-trichlorosilylundec-2-enoic acid
CID 174052679
2-nonadecylidenepropanedioic acid
CID 19832661
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
2-methylheptadec-2-enoic acid;hydrofluoride
CID 174883773
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octylundec-2-enoic acid
CID 87266721
(4Z)-4-trimethylsilylnona-1,4-dien-3-one
CID 121011109

Frequently Asked Questions

What is the IUPAC name of (Z)-2-trimethylsilylnon-2-enoic acid?
The IUPAC name of (Z)-2-trimethylsilylnon-2-enoic acid (CID 10988027) is (Z)-2-trimethylsilylnon-2-enoic acid.
What is the SMILES notation for (Z)-2-trimethylsilylnon-2-enoic acid?
The canonical SMILES for (Z)-2-trimethylsilylnon-2-enoic acid is CCCCCC/C=C(/C(=O)O)[Si](C)(C)C.
What is the InChIKey of (Z)-2-trimethylsilylnon-2-enoic acid?
The InChIKey is ROUQQTADAQBSSZ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H24O2Si/c1-5-6-7-8-9-10-11(12(13)14)15(2,3)4/h10H,5-9H2,1-4H3,(H,13,14)/b11-10-.
What are the key properties of (Z)-2-trimethylsilylnon-2-enoic acid?
(Z)-2-trimethylsilylnon-2-enoic acid has a molecular weight of 228.41 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-trimethylsilylnon-2-enoic acid is sourced from PubChem (CID 10988027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).