ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate

C18H34O4Si — CID 10405140

IUPACethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate
SMILESCCOC(=O)/C(=C\CCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-5-20-18(19)16(15-23(2,3)4)11-7-6-9-13-21-17-12-8-10-14-22-17/h11,17H,5-10,12-15H2,1-4H3/b16-11-
InChIKeyMBASXBJFURCOOG-WJDWOHSUSA-N
MW342.55 g/mol
LogP4.53
Rot. Bonds10

About ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate

ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate (PubChem CID 10405140) has the molecular formula C18H34O4Si and a molecular weight of 342.55 g/mol. Its IUPAC name is ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate
PubChem CID10405140
Molecular FormulaC18H34O4Si
Molecular Weight342.55 g/mol
Exact Mass342.22
IUPAC Nameethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate
SMILESCCOC(=O)/C(=C\CCCCOC1CCCCO1)C[Si](C)(C)C
InChIInChI=1S/C18H34O4Si/c1-5-20-18(19)16(15-23(2,3)4)11-7-6-9-13-21-17-12-8-10-14-22-17/h11,17H,5-10,12-15H2,1-4H3/b16-11-
InChIKeyMBASXBJFURCOOG-WJDWOHSUSA-N
XLogP4.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.55
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (Z)-8-(oxan-2-yloxy)-2-(trimethylsilylmethyl)oct-2-enoate
CID 13773629
ethyl (4E,8E)-4,8-dimethyl-10-(oxan-2-yloxy)deca-4,8-dienoate
CID 14214227
ethyl (2Z,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832778
ethyl (2E,6E)-2-[2-(1,3-dioxan-2-yl)ethyl]-8-(methoxymethoxy)-6-methyl-9-(trimethylsilylmethyl)deca-2,6,9-trienoate
CID 134832779
ethyl (E,4S,5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethyl-5-(oxan-2-yloxy)hept-2-enoate
CID 134866147
methyl (2E,6E)-6-methyl-8-(oxan-2-yloxy)octa-2,6-dienoate
CID 134972652
ethyl (Z)-12-(oxan-2-yloxy)-2-(trimethylsilylmethyl)dodec-2-enoate
CID 9979087
ethyl (Z)-16-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hexadec-2-enoate
CID 9982100
ethyl (Z)-9-(oxan-2-yloxy)-2-(trimethylsilylmethyl)non-2-enoate
CID 10384557
methyl (E)-3-methyl-6-(oxan-2-yloxy)hex-2-enoate
CID 12454417
ethyl (2E,7E,11E)-4-[tert-butyl(dimethyl)silyl]oxy-7,11-dimethyl-13-(oxan-2-yloxy)trideca-2,7,11-trienoate
CID 15726403
Ethyl (4R*,5R*)-(E)-4-(2'-tetrahydropyranyl)oxy-5-(tert-butyldimethylsilyl)oxy-2-hexenoate
CID 101587991

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate?
The IUPAC name of ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate (CID 10405140) is ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate.
What is the SMILES notation for ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate?
The canonical SMILES for ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate is CCOC(=O)/C(=C\CCCCOC1CCCCO1)C[Si](C)(C)C.
What is the InChIKey of ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate?
The InChIKey is MBASXBJFURCOOG-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H34O4Si/c1-5-20-18(19)16(15-23(2,3)4)11-7-6-9-13-21-17-12-8-10-14-22-17/h11,17H,5-10,12-15H2,1-4H3/b16-11-.
What are the key properties of ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate?
ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate has a molecular weight of 342.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-7-(oxan-2-yloxy)-2-(trimethylsilylmethyl)hept-2-enoate is sourced from PubChem (CID 10405140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).