methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate

C10H18O2Si — CID 44597122

IUPACmethyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
SMILESCOC(=O)CCC1=CC[Si](C)(C)C1
InChIInChI=1S/C10H18O2Si/c1-12-10(11)5-4-9-6-7-13(2,3)8-9/h6H,4-5,7-8H2,1-3H3
InChIKeyGQUZONFVHLHVGI-UHFFFAOYSA-N
MW198.34 g/mol
LogP2.59
Rot. Bonds3

About methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate

methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate (PubChem CID 44597122) has the molecular formula C10H18O2Si and a molecular weight of 198.34 g/mol. Its IUPAC name is methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
PubChem CID44597122
Molecular FormulaC10H18O2Si
Molecular Weight198.34 g/mol
Exact Mass198.11
IUPAC Namemethyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate
SMILESCOC(=O)CCC1=CC[Si](C)(C)C1
InChIInChI=1S/C10H18O2Si/c1-12-10(11)5-4-9-6-7-13(2,3)8-9/h6H,4-5,7-8H2,1-3H3
InChIKeyGQUZONFVHLHVGI-UHFFFAOYSA-N
XLogP2.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.34
LogP ≤ 52.59
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

4-Pentenoic acid, 4-[(trimethylsilyl)methyl]-, ethyl ester
CID 11020263
Methyl 3-trimethylsilylmethyl-3-cyclohexenecarboxylate
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5-Heptenoic acid, 6-methyl-, methyl ester
CID 557455
methyl (E,3S)-4-methyl-3-trimethylsilylhex-4-enoate
CID 9990830
(E)-4-methyl-6-trimethylsilylhex-4-enoic acid
CID 14190140
methyl (Z)-3-ethyl-2-trimethylsilyloct-3-enoate
CID 71578825
methyl (Z)-3-methyl-2-trimethylsilyloct-3-enoate
CID 102203794
methyl (Z)-3-tert-butyl-2-trimethylsilyloct-3-enoate
CID 102203800
Methyl 4,8-dimethylnona-4,8-dienoate
CID 129749403
Methyl 4,8-dimethyldeca-4,8-dienoate
CID 129749472
Methyl (e)-8-[t-butyl(dimethyl)silyloxy]oct-5-enoate
CID 132281217
methyl (E)-4-methylhept-4-enoate
CID 134916588

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate?
The IUPAC name of methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate (CID 44597122) is methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate.
What is the SMILES notation for methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate?
The canonical SMILES for methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate is COC(=O)CCC1=CC[Si](C)(C)C1.
What is the InChIKey of methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate?
The InChIKey is GQUZONFVHLHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2Si/c1-12-10(11)5-4-9-6-7-13(2,3)8-9/h6H,4-5,7-8H2,1-3H3.
What are the key properties of methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate?
methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate has a molecular weight of 198.34 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,1-dimethyl-2,5-dihydrosilol-3-yl)propanoate is sourced from PubChem (CID 44597122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).