dimethyl 3-trimethylsilyloxyheptanedioate

C12H24O5Si — CID 552608

IUPACdimethyl 3-trimethylsilyloxyheptanedioate
SMILESCOC(=O)CCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPALUFEWVHVUXCP-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds8

About dimethyl 3-trimethylsilyloxyheptanedioate

dimethyl 3-trimethylsilyloxyheptanedioate (PubChem CID 552608) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is dimethyl 3-trimethylsilyloxyheptanedioate.

Molecular Properties

Compound Namedimethyl 3-trimethylsilyloxyheptanedioate
PubChem CID552608
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namedimethyl 3-trimethylsilyloxyheptanedioate
SMILESCOC(=O)CCCC(CC(=O)OC)O[Si](C)(C)C
InChIInChI=1S/C12H24O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h10H,6-9H2,1-5H3
InChIKeyPALUFEWVHVUXCP-UHFFFAOYSA-N
XLogP2.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (5R)-5-trimethylsilyloxyoctacosanoate
CID 162871788
Methyl 5-trimethylsilyloxyeicosanoate
CID 129726579
Methyl 5,6-di(trimethylsilyloxy)-eicosanoate
CID 129727352
Methyl (5r)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 23241629
CID 85629213
CID 85629213
Methyl (5s)-5-[t-butyl(dimethyl)silyloxy]-3-oxodecanoate
CID 129750370
Methyl (5s)-5-{[t-butyl(dimethyl)silyl]-oxy}-3-oxohexadecanoate
CID 129759212
methyl (3S)-6-oxo-3-trimethylsilyloxyheptanoate
CID 134878017
dimethyl (3S,5S,9R,11R)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134930481
dimethyl (3S,5S,9R,11S)-3,5,9,11-tetrakis[[tert-butyl(dimethyl)silyl]oxy]-7-tri(propan-2-yl)silyloxytridecanedioate
CID 134934797
(4R,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methoxyoxan-2-one
CID 145945199
3-Trimethylsilyloxyheptanedioic acid, dimethyl ester
CID 552607

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-trimethylsilyloxyheptanedioate?
The IUPAC name of dimethyl 3-trimethylsilyloxyheptanedioate (CID 552608) is dimethyl 3-trimethylsilyloxyheptanedioate.
What is the SMILES notation for dimethyl 3-trimethylsilyloxyheptanedioate?
The canonical SMILES for dimethyl 3-trimethylsilyloxyheptanedioate is COC(=O)CCCC(CC(=O)OC)O[Si](C)(C)C.
What is the InChIKey of dimethyl 3-trimethylsilyloxyheptanedioate?
The InChIKey is PALUFEWVHVUXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-15-11(13)8-6-7-10(9-12(14)16-2)17-18(3,4)5/h10H,6-9H2,1-5H3.
What are the key properties of dimethyl 3-trimethylsilyloxyheptanedioate?
dimethyl 3-trimethylsilyloxyheptanedioate has a molecular weight of 276.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-trimethylsilyloxyheptanedioate is sourced from PubChem (CID 552608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).