methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate

C20H38O5Si — CID 70261965

IUPACmethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate
SMILESCOC(=O)CCCCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H38O5Si/c1-19(2,3)26(6,7)25-16-11-14-20(15-12-16,18(22)24-5)13-9-8-10-17(21)23-4/h16H,8-15H2,1-7H3
InChIKeyUOHBIRZTZJUAPC-UHFFFAOYSA-N
MW386.61 g/mol
LogP4.84
Rot. Bonds8

About methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate

methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate (PubChem CID 70261965) has the molecular formula C20H38O5Si and a molecular weight of 386.61 g/mol. Its IUPAC name is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate
PubChem CID70261965
Molecular FormulaC20H38O5Si
Molecular Weight386.61 g/mol
Exact Mass386.25
IUPAC Namemethyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate
SMILESCOC(=O)CCCCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H38O5Si/c1-19(2,3)26(6,7)25-16-11-14-20(15-12-16,18(22)24-5)13-9-8-10-17(21)23-4/h16H,8-15H2,1-7H3
InChIKeyUOHBIRZTZJUAPC-UHFFFAOYSA-N
XLogP4.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.61
LogP ≤ 54.84
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'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate (CID 70261965) is methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate is COC(=O)CCCCC1(C(=O)OC)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate?
The InChIKey is UOHBIRZTZJUAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O5Si/c1-19(2,3)26(6,7)25-16-11-14-20(15-12-16,18(22)24-5)13-9-8-10-17(21)23-4/h16H,8-15H2,1-7H3.
What are the key properties of methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate?
methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate has a molecular weight of 386.61 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[tert-butyl(dimethyl)silyl]oxy-1-(5-methoxy-5-oxopentyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 70261965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).