methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate

C20H46O6Si4 — CID 631359

IUPACmethyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C20H46O6Si4/c1-22-19(21)20(26-30(11,12)13)14-16(23-27(2,3)4)18(25-29(8,9)10)17(15-20)24-28(5,6)7/h16-18H,14-15H2,1-13H3
InChIKeyIRRMBHNIHUUZLJ-UHFFFAOYSA-N
MW494.93 g/mol
LogP5.20
Rot. Bonds9

About methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate

methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (PubChem CID 631359) has the molecular formula C20H46O6Si4 and a molecular weight of 494.93 g/mol. Its IUPAC name is methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
PubChem CID631359
Molecular FormulaC20H46O6Si4
Molecular Weight494.93 g/mol
Exact Mass494.24
IUPAC Namemethyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(O[Si](C)(C)C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1
InChIInChI=1S/C20H46O6Si4/c1-22-19(21)20(26-30(11,12)13)14-16(23-27(2,3)4)18(25-29(8,9)10)17(15-20)24-28(5,6)7/h16-18H,14-15H2,1-13H3
InChIKeyIRRMBHNIHUUZLJ-UHFFFAOYSA-N
XLogP5.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.93
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

D-(-)-Quinic acid, tetramethyl ether, methyl ester
CID 91725778
Quininic acid (5TMS)
CID 525046
methyl (1R,3R,4R)-3-methoxy-4-tri(propan-2-yl)silyloxycyclohexane-1-carboxylate
CID 10893326
Lclt517B
CID 139191839
Quinic acid, TMS
CID 6427786
Galacturonic acid, TMS
CID 91753759
methyl (1S,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylate
CID 15720341
(1R,4S,5R)-1,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-oxabicyclo[3.2.1]octane-3,7-dione
CID 11165516
(1S, 3R, 4R, 5R)-1,4-di(tert-butyldimethylsilyloxy)-3-hydroxycyclohexan-1,5-carbolactone
CID 11188858
(1a,3R,4a,5R)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1,4-dihydroxy-cyclohexanecarboxylic Acid Methyl Ester
CID 11797118
(3S,5S)-3,5-Bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-hydroxy-cyclohexanecarboxylic Acid Methyl Ester
CID 11825917
trans-(3R,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1,4-dihydroxycyclohexane-1-carboxylic acid
CID 15344854

Frequently Asked Questions

What is the IUPAC name of methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate (CID 631359) is methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is COC(=O)C1(O[Si](C)(C)C)CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1.
What is the InChIKey of methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
The InChIKey is IRRMBHNIHUUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H46O6Si4/c1-22-19(21)20(26-30(11,12)13)14-16(23-27(2,3)4)18(25-29(8,9)10)17(15-20)24-28(5,6)7/h16-18H,14-15H2,1-13H3.
What are the key properties of methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate?
methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate has a molecular weight of 494.93 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,4,5-tetrakis(trimethylsilyloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 631359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).