trimethylsilyl (4S)-4-methylhex-5-enoate

C10H20O2Si — CID 102423035

IUPACtrimethylsilyl (4S)-4-methylhex-5-enoate
SMILESC=C[C@@H](C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(2)7-8-10(11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyJCPSHSXXYNUVRS-SECBINFHSA-N
MW200.35 g/mol
LogP2.97
Rot. Bonds5

About trimethylsilyl (4S)-4-methylhex-5-enoate

trimethylsilyl (4S)-4-methylhex-5-enoate (PubChem CID 102423035) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is trimethylsilyl (4S)-4-methylhex-5-enoate.

Molecular Properties

Compound Nametrimethylsilyl (4S)-4-methylhex-5-enoate
PubChem CID102423035
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Nametrimethylsilyl (4S)-4-methylhex-5-enoate
SMILESC=C[C@@H](C)CCC(=O)O[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-9(2)7-8-10(11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyJCPSHSXXYNUVRS-SECBINFHSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Trimethylsilyl cyclohex-3-ene-1-carboxylate
CID 67666049
4-Pentenoic acid, 2-propyl, trimethylsilyl ester
CID 526133
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
2-Methylpent-4-enoic acid,methyl(tetramethylene)silyl ester
CID 567524
1-Methyl-1-(2-methyl-4-pentenoyloxy)-1-silacyclohexane
CID 602971
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457
Methyl 2-methyl-4-methylidene-2-trimethylsilylhex-5-enoate
CID 14569485
Trimethylsilyl 3-methylpent-4-enoate;yttrium
CID 57552770
Trimethylsilyl hex-5-enoate
CID 85586444
Trimethylsilyl 2-prop-1-enylhexanoate
CID 141015605
Trimethylsilyl 2-methylhept-5-enoate
CID 141113930

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (4S)-4-methylhex-5-enoate?
The IUPAC name of trimethylsilyl (4S)-4-methylhex-5-enoate (CID 102423035) is trimethylsilyl (4S)-4-methylhex-5-enoate.
What is the SMILES notation for trimethylsilyl (4S)-4-methylhex-5-enoate?
The canonical SMILES for trimethylsilyl (4S)-4-methylhex-5-enoate is C=C[C@@H](C)CCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (4S)-4-methylhex-5-enoate?
The InChIKey is JCPSHSXXYNUVRS-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-9(2)7-8-10(11)12-13(3,4)5/h6,9H,1,7-8H2,2-5H3/t9-/m1/s1.
What are the key properties of trimethylsilyl (4S)-4-methylhex-5-enoate?
trimethylsilyl (4S)-4-methylhex-5-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (4S)-4-methylhex-5-enoate is sourced from PubChem (CID 102423035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).