(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid

C8H16O2Si — CID 14942072

IUPAC(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid
SMILESC/C(=C/C(=O)O)C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(5-8(9)10)6-11(2,3)4/h5H,6H2,1-4H3,(H,9,10)/b7-5-
InChIKeyZCWXIORCHOTMJT-ALCCZGGFSA-N
MW172.30 g/mol
LogP2.36
Rot. Bonds3

About (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid

(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid (PubChem CID 14942072) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid
PubChem CID14942072
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Name(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid
SMILESC/C(=C/C(=O)O)C[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-7(5-8(9)10)6-11(2,3)4/h5H,6H2,1-4H3,(H,9,10)/b7-5-
InChIKeyZCWXIORCHOTMJT-ALCCZGGFSA-N
XLogP2.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-methylpent-2-enoic acid
CID 5473433
3-methyl-4-phosphonobut-2-enoic acid
CID 54146523
(Z)-4-bromo-3-methylbut-2-enoic acid;ethene
CID 158470113
CID 139242674
CID 139242674
(2Z,4E,6Z)-3,6-dimethylocta-2,4,6-trienedioic acid
CID 134855099
6-[dimethyl(trimethylsilyloxy)silyl]-3-methylhex-2-enoic acid
CID 175561112
(E)-3,6-dimethylhept-2-enoic acid
CID 21291054
3-methyl-4-(propan-2-ylamino)but-2-enoic acid
CID 103230324
5-acetyloxy-3-methylpent-2-enoic acid
CID 54446505
4-(tert-butylamino)-3-methylbut-2-enoic acid
CID 103235172
(2E)-3,7-dimethylnona-2,6-dienoic acid
CID 170842129
3-methylbut-2-enoic acid;propan-2-one
CID 174970520

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid?
The IUPAC name of (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid (CID 14942072) is (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid.
What is the SMILES notation for (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid?
The canonical SMILES for (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid is C/C(=C/C(=O)O)C[Si](C)(C)C.
What is the InChIKey of (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid?
The InChIKey is ZCWXIORCHOTMJT-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-7(5-8(9)10)6-11(2,3)4/h5H,6H2,1-4H3,(H,9,10)/b7-5-.
What are the key properties of (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid?
(Z)-3-methyl-4-trimethylsilylbut-2-enoic acid has a molecular weight of 172.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-trimethylsilylbut-2-enoic acid is sourced from PubChem (CID 14942072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).