dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

C16H30O5Si — CID 12026984

IUPACdimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C[Si](C)(C)OC(C)C)C1
InChIInChI=1S/C16H30O5Si/c1-11(2)21-22(6,7)10-13-9-16(8-12(13)3,14(17)19-4)15(18)20-5/h11-13H,8-10H2,1-7H3
InChIKeyFZCOFICKDIWQMX-UHFFFAOYSA-N
MW330.50 g/mol
LogP2.99
Rot. Bonds6

About dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate

dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (PubChem CID 12026984) has the molecular formula C16H30O5Si and a molecular weight of 330.50 g/mol. Its IUPAC name is dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
PubChem CID12026984
Molecular FormulaC16H30O5Si
Molecular Weight330.50 g/mol
Exact Mass330.19
IUPAC Namedimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)CC(C)C(C[Si](C)(C)OC(C)C)C1
InChIInChI=1S/C16H30O5Si/c1-11(2)21-22(6,7)10-13-9-16(8-12(13)3,14(17)19-4)15(18)20-5/h11-13H,8-10H2,1-7H3
InChIKeyFZCOFICKDIWQMX-UHFFFAOYSA-N
XLogP2.99
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The IUPAC name of dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate (CID 12026984) is dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate.
What is the SMILES notation for dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The canonical SMILES for dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is COC(=O)C1(C(=O)OC)CC(C)C(C[Si](C)(C)OC(C)C)C1.
What is the InChIKey of dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
The InChIKey is FZCOFICKDIWQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O5Si/c1-11(2)21-22(6,7)10-13-9-16(8-12(13)3,14(17)19-4)15(18)20-5/h11-13H,8-10H2,1-7H3.
What are the key properties of dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate?
dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate has a molecular weight of 330.50 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-[[dimethyl(propan-2-yloxy)silyl]methyl]-4-methylcyclopentane-1,1-dicarboxylate is sourced from PubChem (CID 12026984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).