6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane

C16H28 — CID 23451420

IUPAC6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CC(C3CCCCC3)C(C2)C1(C)C
InChIInChI=1S/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3
InChIKeyCMDLWMRZWLVTBQ-UHFFFAOYSA-N
MW220.40 g/mol
LogP4.89
Rot. Bonds1

About 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane

6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane (PubChem CID 23451420) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane
PubChem CID23451420
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane
SMILESCC1C2CC(C3CCCCC3)C(C2)C1(C)C
InChIInChI=1S/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3
InChIKeyCMDLWMRZWLVTBQ-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane?
The IUPAC name of 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane (CID 23451420) is 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane is CC1C2CC(C3CCCCC3)C(C2)C1(C)C.
What is the InChIKey of 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane?
The InChIKey is CMDLWMRZWLVTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-11-13-9-14(12-7-5-4-6-8-12)15(10-13)16(11,2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane?
6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane has a molecular weight of 220.40 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,2,3-trimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 23451420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).