(E)-4-methyl-6-trimethylsilylhex-4-enoic acid

C10H20O2Si — CID 14190140

IUPAC(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
SMILESC/C(=C\C[Si](C)(C)C)CCC(=O)O
InChIInChI=1S/C10H20O2Si/c1-9(5-6-10(11)12)7-8-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,11,12)/b9-7+
InChIKeyJXBQMPWJXGKQDT-VQHVLOKHSA-N
MW200.35 g/mol
LogP3.14
Rot. Bonds5

About (E)-4-methyl-6-trimethylsilylhex-4-enoic acid

(E)-4-methyl-6-trimethylsilylhex-4-enoic acid (PubChem CID 14190140) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (E)-4-methyl-6-trimethylsilylhex-4-enoic acid.

Molecular Properties

Compound Name(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
PubChem CID14190140
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
SMILESC/C(=C\C[Si](C)(C)C)CCC(=O)O
InChIInChI=1S/C10H20O2Si/c1-9(5-6-10(11)12)7-8-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,11,12)/b9-7+
InChIKeyJXBQMPWJXGKQDT-VQHVLOKHSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Turbinaric acid
CID 6438506
6-Methylhept-5-enoic acid
CID 5282663
Nerylacetic acid
CID 87315304
4,8,13,17,21-Pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 124342
5,9-Dimethyl-4,8-decadienoic acid
CID 6365434
(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trienoic acid
CID 11076782
5,9-Dimethyldeca-4,8-dienoic acid
CID 3016190
6-Methyl-5-octenoic acid
CID 5282652
(E)-4-methylhept-4-enoic acid
CID 15088870
Diaethylallylessigsaure
CID 57184924
4-Hexenoic acid, 4-methyl-6-(fluorodimethylsilyl)-6-trimethylsilyl-
CID 5366889
(E)-4-methylhex-4-enoic acid
CID 15325751

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-6-trimethylsilylhex-4-enoic acid?
The IUPAC name of (E)-4-methyl-6-trimethylsilylhex-4-enoic acid (CID 14190140) is (E)-4-methyl-6-trimethylsilylhex-4-enoic acid.
What is the SMILES notation for (E)-4-methyl-6-trimethylsilylhex-4-enoic acid?
The canonical SMILES for (E)-4-methyl-6-trimethylsilylhex-4-enoic acid is C/C(=C\C[Si](C)(C)C)CCC(=O)O.
What is the InChIKey of (E)-4-methyl-6-trimethylsilylhex-4-enoic acid?
The InChIKey is JXBQMPWJXGKQDT-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-9(5-6-10(11)12)7-8-13(2,3)4/h7H,5-6,8H2,1-4H3,(H,11,12)/b9-7+.
What are the key properties of (E)-4-methyl-6-trimethylsilylhex-4-enoic acid?
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid has a molecular weight of 200.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-6-trimethylsilylhex-4-enoic acid is sourced from PubChem (CID 14190140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).