(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane

C21H36 — CID 158391246

IUPAC(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
SMILESCC1C(CC2C[C@@H]3C[C@H](C2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C21H36/c1-12-14(8-16-10-18(12)20(16,3)4)7-15-9-17-11-19(13(15)2)21(17,5)6/h12-19H,7-11H2,1-6H3/t12?,13?,14?,15?,16-,17-,18-,19-/m1/s1
InChIKeyZOGXPPJJIRKCLZ-AYTQWWJXSA-N
MW288.52 g/mol
LogP6.01
Rot. Bonds2

About (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane

(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane (PubChem CID 158391246) has the molecular formula C21H36 and a molecular weight of 288.52 g/mol. Its IUPAC name is (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane.

Molecular Properties

Compound Name(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
PubChem CID158391246
Molecular FormulaC21H36
Molecular Weight288.52 g/mol
Exact Mass288.28
IUPAC Name(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane
SMILESCC1C(CC2C[C@@H]3C[C@H](C2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C21H36/c1-12-14(8-16-10-18(12)20(16,3)4)7-15-9-17-11-19(13(15)2)21(17,5)6/h12-19H,7-11H2,1-6H3/t12?,13?,14?,15?,16-,17-,18-,19-/m1/s1
InChIKeyZOGXPPJJIRKCLZ-AYTQWWJXSA-N
XLogP6.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.52
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane?
The IUPAC name of (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane (CID 158391246) is (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane.
What is the SMILES notation for (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane?
The canonical SMILES for (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane is CC1C(CC2C[C@@H]3C[C@H](C2C)C3(C)C)C[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane?
The InChIKey is ZOGXPPJJIRKCLZ-AYTQWWJXSA-N. The full InChI is InChI=1S/C21H36/c1-12-14(8-16-10-18(12)20(16,3)4)7-15-9-17-11-19(13(15)2)21(17,5)6/h12-19H,7-11H2,1-6H3/t12?,13?,14?,15?,16-,17-,18-,19-/m1/s1.
What are the key properties of (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane?
(1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane has a molecular weight of 288.52 g/mol, XLogP of 6.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2,6,6-trimethyl-3-[[(1R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methyl]bicyclo[3.1.1]heptane is sourced from PubChem (CID 158391246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).