2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene

C15H22 — CID 583109

IUPAC2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
SMILESCC1(C)C2=CC=CC(C)(C)C23CCC1C3
InChIInChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyUIPKEVNEOFKIRG-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds

About 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene

2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene (PubChem CID 583109) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene.

Molecular Properties

Compound Name2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
PubChem CID583109
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
SMILESCC1(C)C2=CC=CC(C)(C)C23CCC1C3
InChIInChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3
InChIKeyUIPKEVNEOFKIRG-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Isolongifolene
CID 11127402
beta-Santalene
CID 10889018
Cholesta-3,5-diene
CID 92835
Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
CID 10534
Stigmasta-3,5-diene
CID 13783149
4,5,9,10-Dehydro-isolongifolene
CID 588771
Stigmasta-3,5-diene, (24xi)-
CID 157618
2H-2,4a-Methanonaphthalene, 1,3,4,5,6,7-hexahydro-1,1,5,5-tetramethyl-, (2S)-
CID 102562
Npc155767
CID 525918
8,8,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-2,4a-methanonaphthalene
CID 595372
Neoclovene
CID 605073
Santalene (minor)
CID 6431197

Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The IUPAC name of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene (CID 583109) is 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene.
What is the SMILES notation for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The canonical SMILES for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene is CC1(C)C2=CC=CC(C)(C)C23CCC1C3.
What is the InChIKey of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The InChIKey is UIPKEVNEOFKIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-6,8,11H,7,9-10H2,1-4H3.
What are the key properties of 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene has a molecular weight of 202.34 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene is sourced from PubChem (CID 583109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).