methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate

C19H34O4Si — CID 135015490

IUPACmethyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)CC1(C(=O)OC)CC(C)(C)CC1=O
InChIInChI=1S/C19H34O4Si/c1-14(12-23-24(8,9)17(2,3)4)10-19(16(21)22-7)13-18(5,6)11-15(19)20/h1,10-13H2,2-9H3
InChIKeyQTLZXZQSLQWCEW-UHFFFAOYSA-N
MW354.56 g/mol
LogP4.50
Rot. Bonds6

About methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate

methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate (PubChem CID 135015490) has the molecular formula C19H34O4Si and a molecular weight of 354.56 g/mol. Its IUPAC name is methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate
PubChem CID135015490
Molecular FormulaC19H34O4Si
Molecular Weight354.56 g/mol
Exact Mass354.22
IUPAC Namemethyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate
SMILESC=C(CO[Si](C)(C)C(C)(C)C)CC1(C(=O)OC)CC(C)(C)CC1=O
InChIInChI=1S/C19H34O4Si/c1-14(12-23-24(8,9)17(2,3)4)10-19(16(21)22-7)13-18(5,6)11-15(19)20/h1,10-13H2,2-9H3
InChIKeyQTLZXZQSLQWCEW-UHFFFAOYSA-N
XLogP4.50
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate with MolForge

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Related Compounds

cis-dimethyl (2S,4R)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-ethenyl-3-methylidenecyclopentane-1,1-dicarboxylate
CID 135028109
trans-methyl (1S,2R)-2-methyl-1-[(2R)-3-[tri(propan-2-yl)silyloxymethyl]but-3-en-2-yl]cyclopentane-1-carboxylate
CID 101854200

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate (CID 135015490) is methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate is C=C(CO[Si](C)(C)C(C)(C)C)CC1(C(=O)OC)CC(C)(C)CC1=O.
What is the InChIKey of methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate?
The InChIKey is QTLZXZQSLQWCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O4Si/c1-14(12-23-24(8,9)17(2,3)4)10-19(16(21)22-7)13-18(5,6)11-15(19)20/h1,10-13H2,2-9H3.
What are the key properties of methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate?
methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate has a molecular weight of 354.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-enyl]-4,4-dimethyl-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 135015490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).