tert-butyl 6-tert-butylcyclohexene-1-carboxylate

C15H26O2 — CID 102278728

IUPACtert-butyl 6-tert-butylcyclohexene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCCC1C(C)(C)C
InChIInChI=1S/C15H26O2/c1-14(2,3)12-10-8-7-9-11(12)13(16)17-15(4,5)6/h9,12H,7-8,10H2,1-6H3
InChIKeyYFYRKEYWKFULCA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.10
Rot. Bonds1

About tert-butyl 6-tert-butylcyclohexene-1-carboxylate

tert-butyl 6-tert-butylcyclohexene-1-carboxylate (PubChem CID 102278728) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is tert-butyl 6-tert-butylcyclohexene-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-tert-butylcyclohexene-1-carboxylate
PubChem CID102278728
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Nametert-butyl 6-tert-butylcyclohexene-1-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCCCC1C(C)(C)C
InChIInChI=1S/C15H26O2/c1-14(2,3)12-10-8-7-9-11(12)13(16)17-15(4,5)6/h9,12H,7-8,10H2,1-6H3
InChIKeyYFYRKEYWKFULCA-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-tert-butylcyclohexene-1-carboxylate?
The IUPAC name of tert-butyl 6-tert-butylcyclohexene-1-carboxylate (CID 102278728) is tert-butyl 6-tert-butylcyclohexene-1-carboxylate.
What is the SMILES notation for tert-butyl 6-tert-butylcyclohexene-1-carboxylate?
The canonical SMILES for tert-butyl 6-tert-butylcyclohexene-1-carboxylate is CC(C)(C)OC(=O)C1=CCCCC1C(C)(C)C.
What is the InChIKey of tert-butyl 6-tert-butylcyclohexene-1-carboxylate?
The InChIKey is YFYRKEYWKFULCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-14(2,3)12-10-8-7-9-11(12)13(16)17-15(4,5)6/h9,12H,7-8,10H2,1-6H3.
What are the key properties of tert-butyl 6-tert-butylcyclohexene-1-carboxylate?
tert-butyl 6-tert-butylcyclohexene-1-carboxylate has a molecular weight of 238.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-tert-butylcyclohexene-1-carboxylate is sourced from PubChem (CID 102278728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).