methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate

C12H24O3Si — CID 125474214

IUPACmethyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate
SMILESCCCC/C=C(\C(=O)OC)[Si](C)(C)OCC
InChIInChI=1S/C12H24O3Si/c1-6-8-9-10-11(12(13)14-3)16(4,5)15-7-2/h10H,6-9H2,1-5H3/b11-10+
InChIKeyBWEXDEHSVRMYFK-ZHACJKMWSA-N
MW244.41 g/mol
LogP3.06
Rot. Bonds7

About methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate

methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate (PubChem CID 125474214) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate
PubChem CID125474214
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Namemethyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate
SMILESCCCC/C=C(\C(=O)OC)[Si](C)(C)OCC
InChIInChI=1S/C12H24O3Si/c1-6-8-9-10-11(12(13)14-3)16(4,5)15-7-2/h10H,6-9H2,1-5H3/b11-10+
InChIKeyBWEXDEHSVRMYFK-ZHACJKMWSA-N
XLogP3.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

methyl (E)-2-[benzyl(dimethyl)silyl]hept-2-enoate
CID 102362371
methyl (E)-2-methylhept-2-enoate
CID 13122847
methyl (Z)-2-butylhept-2-enoate
CID 11550182
methyl (E)-2-ethyldec-2-enoate
CID 25232141
methyl 2-pentylidenehexadecanoate
CID 174821215
methyl 2-methyloct-2-enoate
CID 71403822
1-O-ethyl 1-O,2-O-dimethyl (Z)-hept-2-ene-1,1,2-tricarboxylate
CID 15211626
(E)-2-methoxyhept-2-enoic acid
CID 87190436
(4Z)-4-trimethylsilylnona-1,4-dien-3-one
CID 121011109
methyl (Z)-2-(bromomethyl)dec-2-enoate
CID 102422936
methyl (E)-2-(bromomethyl)dec-2-enoate
CID 121008689
(Z)-2-methoxyhept-2-ene
CID 21160203

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate?
The IUPAC name of methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate (CID 125474214) is methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate.
What is the SMILES notation for methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate?
The canonical SMILES for methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate is CCCC/C=C(\C(=O)OC)[Si](C)(C)OCC.
What is the InChIKey of methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate?
The InChIKey is BWEXDEHSVRMYFK-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-6-8-9-10-11(12(13)14-3)16(4,5)15-7-2/h10H,6-9H2,1-5H3/b11-10+.
What are the key properties of methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate?
methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate has a molecular weight of 244.41 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[ethoxy(dimethyl)silyl]hept-2-enoate is sourced from PubChem (CID 125474214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).