tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate

C20H40O4Si — CID 70933966

IUPACtert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(OCCCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H40O4Si/c1-19(2,3)24-18(21)16-10-12-17(13-11-16)22-14-9-15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3
InChIKeyCFJXXUBKCRZPGT-UHFFFAOYSA-N
MW372.62 g/mol
LogP5.32
Rot. Bonds7

About tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate

tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate (PubChem CID 70933966) has the molecular formula C20H40O4Si and a molecular weight of 372.62 g/mol. Its IUPAC name is tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate
PubChem CID70933966
Molecular FormulaC20H40O4Si
Molecular Weight372.62 g/mol
Exact Mass372.27
IUPAC Nametert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(OCCCO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C20H40O4Si/c1-19(2,3)24-18(21)16-10-12-17(13-11-16)22-14-9-15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3
InChIKeyCFJXXUBKCRZPGT-UHFFFAOYSA-N
XLogP5.32
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.62
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-but-3-ynoxycyclohexane-1-carboxylate
CID 176906275
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
4-O-tert-butyl 1-O-dodecyl cyclohexane-1,4-dicarboxylate
CID 66983847
1-O-butyl 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 66984653
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
4-O-tert-butyl 1-O-propyl cyclohexane-1,4-dicarboxylate
CID 66983945
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
CID 139789040
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate (CID 70933966) is tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(OCCCO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate?
The InChIKey is CFJXXUBKCRZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O4Si/c1-19(2,3)24-18(21)16-10-12-17(13-11-16)22-14-9-15-23-25(7,8)20(4,5)6/h16-17H,9-15H2,1-8H3.
What are the key properties of tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate?
tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate has a molecular weight of 372.62 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 70933966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).