methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate

C21H42O5Si — CID 173199777

IUPACmethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate
SMILESCCCCCCCCC1(C)OC(C(=O)OC)C(C(O[SiH](C)C)C(C)(C)C)O1
InChIInChI=1S/C21H42O5Si/c1-9-10-11-12-13-14-15-21(5)24-16(17(25-21)19(22)23-6)18(20(2,3)4)26-27(7)8/h16-18,27H,9-15H2,1-8H3
InChIKeyWAVVPYOZMGPHBR-UHFFFAOYSA-N
MW402.65 g/mol
LogP4.82
Rot. Bonds11

About methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate

methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate (PubChem CID 173199777) has the molecular formula C21H42O5Si and a molecular weight of 402.65 g/mol. Its IUPAC name is methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate
PubChem CID173199777
Molecular FormulaC21H42O5Si
Molecular Weight402.65 g/mol
Exact Mass402.28
IUPAC Namemethyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate
SMILESCCCCCCCCC1(C)OC(C(=O)OC)C(C(O[SiH](C)C)C(C)(C)C)O1
InChIInChI=1S/C21H42O5Si/c1-9-10-11-12-13-14-15-21(5)24-16(17(25-21)19(22)23-6)18(20(2,3)4)26-27(7)8/h16-18,27H,9-15H2,1-8H3
InChIKeyWAVVPYOZMGPHBR-UHFFFAOYSA-N
XLogP4.82
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.65
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-methyl-3-pentyloxirane-2-carboxylate
CID 80558710
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl (2S,4S,5S)-2-(2-methoxy-2-oxoethyl)-2,5-di(pentadecyl)-1,3-dioxolane-4-carboxylate
CID 102002441
dimethyl (4R,5R)-2-dodecyl-2-(4-methylphenyl)-1,3-dioxolane-4,5-dicarboxylate
CID 71483597
dimethyl (4R,5R)-2-nonyl-1,3-dioxolane-4,5-dicarboxylate
CID 14992896
methyl (2R,3R)-3-octyloxirane-2-carboxylate
CID 134894079
bis(2,2-dimethyloctanoyloxy)lead
CID 90470718
ethyl 3-hexyl-3-methyloxirane-2-carboxylate
CID 14387201
methyl (2S,3R)-3-(heptylcarbamoyl)oxirane-2-carboxylate
CID 11817381
methyl (4S,5S)-5-tert-butyl-3-nonyl-4,5-dihydro-1,2-oxazole-4-carboxylate
CID 102186333
pentyl 11-amino-2,2,12-trimethyltridecanoate
CID 20518074
methyl (4R,5S)-3-fluoro-3-hexyl-4-methyl-2-trimethylsilyloxy-1,2-oxazolidine-5-carboxylate
CID 11845899

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate (CID 173199777) is methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate is CCCCCCCCC1(C)OC(C(=O)OC)C(C(O[SiH](C)C)C(C)(C)C)O1.
What is the InChIKey of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate?
The InChIKey is WAVVPYOZMGPHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O5Si/c1-9-10-11-12-13-14-15-21(5)24-16(17(25-21)19(22)23-6)18(20(2,3)4)26-27(7)8/h16-18,27H,9-15H2,1-8H3.
What are the key properties of methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate?
methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate has a molecular weight of 402.65 g/mol, XLogP of 4.82, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-dimethylsilyloxy-2,2-dimethylpropyl)-2-methyl-2-octyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 173199777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).