methyl (E,3S)-3-trimethylsilylhex-4-enoate

C10H20O2Si — CID 134938980

IUPACmethyl (E,3S)-3-trimethylsilylhex-4-enoate
SMILESC/C=C/C(CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-9(13(3,4)5)8-10(11)12-2/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyKJLCTVOVTSOMBN-VOTSOKGWSA-N
MW200.35 g/mol
LogP2.83
Rot. Bonds4

About methyl (E,3S)-3-trimethylsilylhex-4-enoate

methyl (E,3S)-3-trimethylsilylhex-4-enoate (PubChem CID 134938980) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is methyl (E,3S)-3-trimethylsilylhex-4-enoate.

Molecular Properties

Compound Namemethyl (E,3S)-3-trimethylsilylhex-4-enoate
PubChem CID134938980
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Namemethyl (E,3S)-3-trimethylsilylhex-4-enoate
SMILESC/C=C/C(CC(=O)OC)[Si](C)(C)C
InChIInChI=1S/C10H20O2Si/c1-6-7-9(13(3,4)5)8-10(11)12-2/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyKJLCTVOVTSOMBN-VOTSOKGWSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.83
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

Methyl 4-octenoate, (Z)-
CID 5352774
Methyl deca-4,8-dienoate
CID 53426062
Methyl 4Z-octenoate
CID 5366856
methyl (4E)-octa-4,7-dienoate
CID 10986465
2-Hydrazinyl-Ethanol
CID 131751613
Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
Methyl 4-octenoate
CID 519407
Methyl 4-heptenoate
CID 535039
4-Nonenoic acid, methyl ester
CID 543429
(Z)-4-Heptenoic acid methyl ester
CID 15585052
4-Heptenoic acid, methyl ester, (E)-
CID 5362860
Methyl 4,8-decadienoate
CID 6428540

Frequently Asked Questions

What is the IUPAC name of methyl (E,3S)-3-trimethylsilylhex-4-enoate?
The IUPAC name of methyl (E,3S)-3-trimethylsilylhex-4-enoate (CID 134938980) is methyl (E,3S)-3-trimethylsilylhex-4-enoate.
What is the SMILES notation for methyl (E,3S)-3-trimethylsilylhex-4-enoate?
The canonical SMILES for methyl (E,3S)-3-trimethylsilylhex-4-enoate is C/C=C/C(CC(=O)OC)[Si](C)(C)C.
What is the InChIKey of methyl (E,3S)-3-trimethylsilylhex-4-enoate?
The InChIKey is KJLCTVOVTSOMBN-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20O2Si/c1-6-7-9(13(3,4)5)8-10(11)12-2/h6-7,9H,8H2,1-5H3/b7-6+.
What are the key properties of methyl (E,3S)-3-trimethylsilylhex-4-enoate?
methyl (E,3S)-3-trimethylsilylhex-4-enoate has a molecular weight of 200.35 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,3S)-3-trimethylsilylhex-4-enoate is sourced from PubChem (CID 134938980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).