tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate

C18H35FO3Si — CID 170560386

IUPACtert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(F)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35FO3Si/c1-16(2,3)22-15(20)18(19)11-9-14(10-12-18)13-21-23(7,8)17(4,5)6/h14H,9-13H2,1-8H3
InChIKeyDEAUNUGRVQLMRU-UHFFFAOYSA-N
MW346.56 g/mol
LogP5.25
Rot. Bonds4

About tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate

tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate (PubChem CID 170560386) has the molecular formula C18H35FO3Si and a molecular weight of 346.56 g/mol. Its IUPAC name is tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
PubChem CID170560386
Molecular FormulaC18H35FO3Si
Molecular Weight346.56 g/mol
Exact Mass346.23
IUPAC Nametert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(F)CCC(CO[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C18H35FO3Si/c1-16(2,3)22-15(20)18(19)11-9-14(10-12-18)13-21-23(7,8)17(4,5)6/h14H,9-13H2,1-8H3
InChIKeyDEAUNUGRVQLMRU-UHFFFAOYSA-N
XLogP5.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate (CID 170560386) is tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(F)CCC(CO[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate?
The InChIKey is DEAUNUGRVQLMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FO3Si/c1-16(2,3)22-15(20)18(19)11-9-14(10-12-18)13-21-23(7,8)17(4,5)6/h14H,9-13H2,1-8H3.
What are the key properties of tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate?
tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate has a molecular weight of 346.56 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 170560386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).