trimethylsilyl (3E)-3-ethylidenehexanoate

C11H22O2Si — CID 5352351

IUPACtrimethylsilyl (3E)-3-ethylidenehexanoate
SMILESC/C=C(\CCC)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(7-2)9-11(12)13-14(3,4)5/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeyRUXZWOCFYVVCMB-JXMROGBWSA-N
MW214.38 g/mol
LogP3.50
Rot. Bonds5

About trimethylsilyl (3E)-3-ethylidenehexanoate

trimethylsilyl (3E)-3-ethylidenehexanoate (PubChem CID 5352351) has the molecular formula C11H22O2Si and a molecular weight of 214.38 g/mol. Its IUPAC name is trimethylsilyl (3E)-3-ethylidenehexanoate.

Molecular Properties

Compound Nametrimethylsilyl (3E)-3-ethylidenehexanoate
PubChem CID5352351
Molecular FormulaC11H22O2Si
Molecular Weight214.38 g/mol
Exact Mass214.14
IUPAC Nametrimethylsilyl (3E)-3-ethylidenehexanoate
SMILESC/C=C(\CCC)CC(=O)O[Si](C)(C)C
InChIInChI=1S/C11H22O2Si/c1-6-8-10(7-2)9-11(12)13-14(3,4)5/h7H,6,8-9H2,1-5H3/b10-7+
InChIKeyRUXZWOCFYVVCMB-JXMROGBWSA-N
XLogP3.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.50
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

gamma-Linolenic acid, tert-butyldimethylsilyl ester
CID 91697369
(S)-(-)-Citronellic acid, TMS derivative
CID 91709808
cis-5-Dodecenoic acid, trimethylsilyl ester
CID 91709835
(R)-(+)-Citronellic acid, tert-butyldimethylsilyl ester
CID 91736184
cis-6-Octadecenoic acid, tert-butyldimethylsilyl ester
CID 91743169
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
Linolenic acid, trimethylsilyl ester
CID 91754000
12-Methyloctadec-11-enoic acid trimethylsilyl ester
CID 91697180
methyl (E)-3-propylhex-3-enoate
CID 89159670
Trimethylsilyl 2-prop-1-enylhexanoate
CID 141015605
Trimethylsilyl cyclopentene-1-carboxylate
CID 141424572
Methyl 3-ethylidene-7-methyloct-6-enoate
CID 175971807

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl (3E)-3-ethylidenehexanoate?
The IUPAC name of trimethylsilyl (3E)-3-ethylidenehexanoate (CID 5352351) is trimethylsilyl (3E)-3-ethylidenehexanoate.
What is the SMILES notation for trimethylsilyl (3E)-3-ethylidenehexanoate?
The canonical SMILES for trimethylsilyl (3E)-3-ethylidenehexanoate is C/C=C(\CCC)CC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (3E)-3-ethylidenehexanoate?
The InChIKey is RUXZWOCFYVVCMB-JXMROGBWSA-N. The full InChI is InChI=1S/C11H22O2Si/c1-6-8-10(7-2)9-11(12)13-14(3,4)5/h7H,6,8-9H2,1-5H3/b10-7+.
What are the key properties of trimethylsilyl (3E)-3-ethylidenehexanoate?
trimethylsilyl (3E)-3-ethylidenehexanoate has a molecular weight of 214.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (3E)-3-ethylidenehexanoate is sourced from PubChem (CID 5352351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).