6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane

C17H32 — CID 123299249

IUPAC6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1(C)C(C)CCC(C2CCC2)C1(C)C
InChIInChI=1S/C17H32/c1-12(2)17(6)13(3)10-11-15(16(17,4)5)14-8-7-9-14/h12-15H,7-11H2,1-6H3
InChIKeyXNNXWDFOIZCJAQ-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.52
Rot. Bonds2

About 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane

6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane (PubChem CID 123299249) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Name6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane
PubChem CID123299249
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane
SMILESCC(C)C1(C)C(C)CCC(C2CCC2)C1(C)C
InChIInChI=1S/C17H32/c1-12(2)17(6)13(3)10-11-15(16(17,4)5)14-8-7-9-14/h12-15H,7-11H2,1-6H3
InChIKeyXNNXWDFOIZCJAQ-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
(1R,2R,5R)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 11051725
Bicyclo(3.1.1)heptane, 2,6,6-trimethyl-, (1alpha,2beta,5alpha)-
CID 12314300
1,3,5-Trimethyl-2-octadecylcyclohexane
CID 41379
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
1,1,3,4-Tetramethylcyclohexane
CID 15102861
1,4-Dimethyl-3-n-octadecylcyclohexane
CID 282770
1,2-Dimethyl-3-pentyl-4-propylcyclohexane
CID 566238

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane?
The IUPAC name of 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane (CID 123299249) is 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane?
The canonical SMILES for 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane is CC(C)C1(C)C(C)CCC(C2CCC2)C1(C)C.
What is the InChIKey of 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane?
The InChIKey is XNNXWDFOIZCJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32/c1-12(2)17(6)13(3)10-11-15(16(17,4)5)14-8-7-9-14/h12-15H,7-11H2,1-6H3.
What are the key properties of 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane?
6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane has a molecular weight of 236.44 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-1,1,2,3-tetramethyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 123299249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).