tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate

C17H30O3 — CID 139789040

IUPACtert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H30O3/c1-17(2,3)20-16(18)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyWCKJGUOXWLZFNF-UHFFFAOYSA-N
MW282.42 g/mol
LogP4.24
Rot. Bonds3

About tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate

tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate (PubChem CID 139789040) has the molecular formula C17H30O3 and a molecular weight of 282.42 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
PubChem CID139789040
Molecular FormulaC17H30O3
Molecular Weight282.42 g/mol
Exact Mass282.22
IUPAC Nametert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C17H30O3/c1-17(2,3)20-16(18)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyWCKJGUOXWLZFNF-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl cyclododecanecarboxylate
CID 154013086
tert-butyl cyclopropanecarboxylate
CID 157212632
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
tert-butyl cyclopropanecarboxylate;oxane
CID 142447731
tert-butyl 4-methylcyclohexane-1-carboxylate
CID 59152157
tert-butyl 4-tert-butylsulfinylcyclohexane-1-carboxylate
CID 175169116
2-O-tert-butyl 1-O-cyclohexyl cyclohexane-1,2-dicarboxylate
CID 54540024
tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
1-O-(aminomethyl) 4-O-tert-butyl cyclohexane-1,4-dicarboxylate
CID 57009798
tert-butyl 4-but-3-ynoxycyclohexane-1-carboxylate
CID 176906275
tritert-butyl cyclohexane-1,2,4-tricarboxylate
CID 23444068
tert-butyl thiane-4-carboxylate
CID 118666343

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate (CID 139789040) is tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(OC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate?
The InChIKey is WCKJGUOXWLZFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O3/c1-17(2,3)20-16(18)13-9-11-15(12-10-13)19-14-7-5-4-6-8-14/h13-15H,4-12H2,1-3H3.
What are the key properties of tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate?
tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate has a molecular weight of 282.42 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyloxycyclohexane-1-carboxylate is sourced from PubChem (CID 139789040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).