ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate

C11H22O4Si — CID 135075742

IUPACethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
SMILESCCOC(=O)C(C)C/C=C\[Si](C)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-15-11(12)10(2)8-7-9-16(5,13-3)14-4/h7,9-10H,6,8H2,1-5H3/b9-7-
InChIKeyPTPSURKEKIRKGF-CLFYSBASSA-N
MW246.38 g/mol
LogP2.04
Rot. Bonds7

About ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate

ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate (PubChem CID 135075742) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
PubChem CID135075742
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Nameethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
SMILESCCOC(=O)C(C)C/C=C\[Si](C)(OC)OC
InChIInChI=1S/C11H22O4Si/c1-6-15-11(12)10(2)8-7-9-16(5,13-3)14-4/h7,9-10H,6,8H2,1-5H3/b9-7-
InChIKeyPTPSURKEKIRKGF-CLFYSBASSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diethyl 2-[(E)-3-trimethylsilylprop-2-enyl]propanedioate
CID 12741310
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
CID 44521629
Diethyl 2-(3-(triethoxysilyl)allyl)malonate
CID 129695873
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
diethyl 2-[(Z)-3-trimethylsilylprop-2-enyl]propanedioate
CID 134981047
ethyl (E,2R,3S)-2-methyl-3-trimethylsilylhex-4-enoate
CID 135084243
2-Methyl-4-pentenoic acid, trimethylsilyl ester
CID 552477
2-Methylpent-4-enoic acid,methyl(tetramethylene)silyl ester
CID 567524
3-(Trimethylsilyl)-4-pentenoic acid ethyl ester
CID 14214593
Methyl 7-[tert-butyl(dimethyl)silyl]oxyhepta-4,5-dienoate
CID 13470495
2-Trimethylsilylethyl pent-4-enoate
CID 15360091
Methyl 8-[tert-butyl(dimethyl)silyl]oxyoct-4-enoate
CID 54374029

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate?
The IUPAC name of ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate (CID 135075742) is ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate.
What is the SMILES notation for ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate?
The canonical SMILES for ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate is CCOC(=O)C(C)C/C=C\[Si](C)(OC)OC.
What is the InChIKey of ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate?
The InChIKey is PTPSURKEKIRKGF-CLFYSBASSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-6-15-11(12)10(2)8-7-9-16(5,13-3)14-4/h7,9-10H,6,8H2,1-5H3/b9-7-.
What are the key properties of ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate?
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate has a molecular weight of 246.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate is sourced from PubChem (CID 135075742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).