3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane

C20H34 — CID 22609157

IUPAC3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1C(CC2C3CCC(C3)C2(C)C)CC2CC1C2(C)C
InChIInChI=1S/C20H34/c1-12-14(9-16-11-17(12)20(16,4)5)10-18-13-6-7-15(8-13)19(18,2)3/h12-18H,6-11H2,1-5H3
InChIKeyMVCSPOKSZBZVAW-UHFFFAOYSA-N
MW274.49 g/mol
LogP5.77
Rot. Bonds2

About 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane

3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane (PubChem CID 22609157) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane
PubChem CID22609157
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane
SMILESCC1C(CC2C3CCC(C3)C2(C)C)CC2CC1C2(C)C
InChIInChI=1S/C20H34/c1-12-14(9-16-11-17(12)20(16,4)5)10-18-13-6-7-15(8-13)19(18,2)3/h12-18H,6-11H2,1-5H3
InChIKeyMVCSPOKSZBZVAW-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
[(1R,2R,3R,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]methanamine
CID 124915343
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxymethyl]-2,2-dimethylbicyclo[2.2.1]heptane
CID 54247080
2-[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]ethanol
CID 102267718
3-(2-chloroethyl)-2,2-dimethylbicyclo[2.2.1]heptane
CID 50741626
(1S,3R,4R)-2,2,3-trimethylbicyclo[2.2.1]heptane
CID 14744268
tris[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]borane
CID 135048273
tris[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]borane
CID 14106757
(1S,2S,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 6429433
azane;(5R)-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 143055597
1,5-bis(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-3-ol
CID 21332842
(1R,2S,3R,5R)-2,6,6-trimethyl-3-(3-methylbut-2-enyl)bicyclo[3.1.1]heptane
CID 57070071

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The IUPAC name of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane (CID 22609157) is 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane.
What is the SMILES notation for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The canonical SMILES for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane is CC1C(CC2C3CCC(C3)C2(C)C)CC2CC1C2(C)C.
What is the InChIKey of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
The InChIKey is MVCSPOKSZBZVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-12-14(9-16-11-17(12)20(16,4)5)10-18-13-6-7-15(8-13)19(18,2)3/h12-18H,6-11H2,1-5H3.
What are the key properties of 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane?
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane has a molecular weight of 274.49 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane is sourced from PubChem (CID 22609157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).