methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate

C9H18O3Si — CID 44521629

IUPACmethyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
SMILESCOC(=O)[C@H](C)C/C=C/[Si](C)(C)O
InChIInChI=1S/C9H18O3Si/c1-8(9(10)12-2)6-5-7-13(3,4)11/h5,7-8,11H,6H2,1-4H3/b7-5+/t8-/m1/s1
InChIKeyJYIHOJQWDPTEFZ-WVXIBAHESA-N
MW202.33 g/mol
LogP1.48
Rot. Bonds4

About methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate

methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate (PubChem CID 44521629) has the molecular formula C9H18O3Si and a molecular weight of 202.33 g/mol. Its IUPAC name is methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
PubChem CID44521629
Molecular FormulaC9H18O3Si
Molecular Weight202.33 g/mol
Exact Mass202.10
IUPAC Namemethyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate
SMILESCOC(=O)[C@H](C)C/C=C/[Si](C)(C)O
InChIInChI=1S/C9H18O3Si/c1-8(9(10)12-2)6-5-7-13(3,4)11/h5,7-8,11H,6H2,1-4H3/b7-5+/t8-/m1/s1
InChIKeyJYIHOJQWDPTEFZ-WVXIBAHESA-N
XLogP1.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 3-(trimethylsilyl)-4-pentenoate
CID 3385579
Tri(propan-2-yl)silyl pent-4-enoate
CID 10735566
(E,2R,3S)-5-[tert-butyl(dimethyl)silyl]-2,3-dimethylpent-4-enoic acid
CID 13289142
[Tert-butyl(dimethyl)silyl] pent-4-enoate
CID 13678910
cis-methyl (1R,2R)-2-[(E)-2-trimethylsilylethenyl]cyclopropane-1-carboxylate
CID 101400162
methyl (3S)-3-[[tert-butyl(dimethyl)silyl]methyl]pent-4-enoate
CID 134893722
ethyl (Z)-5-[dimethoxy(methyl)silyl]-2-methylpent-4-enoate
CID 135075742
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
1-Methyl-1-(2-methyl-4-pentenoyloxy)-1-silacyclohexane
CID 602971
Methyl 2-ethenyl-1-trimethylsilylcyclopropane-1-carboxylate
CID 10856457

Frequently Asked Questions

What is the IUPAC name of methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate?
The IUPAC name of methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate (CID 44521629) is methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate.
What is the SMILES notation for methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate?
The canonical SMILES for methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate is COC(=O)[C@H](C)C/C=C/[Si](C)(C)O.
What is the InChIKey of methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate?
The InChIKey is JYIHOJQWDPTEFZ-WVXIBAHESA-N. The full InChI is InChI=1S/C9H18O3Si/c1-8(9(10)12-2)6-5-7-13(3,4)11/h5,7-8,11H,6H2,1-4H3/b7-5+/t8-/m1/s1.
What are the key properties of methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate?
methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate has a molecular weight of 202.33 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,2R)-5-[hydroxy(dimethyl)silyl]-2-methylpent-4-enoate is sourced from PubChem (CID 44521629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).