(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene

C15H22 — CID 91748457

IUPAC(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
SMILESCC1(C)C2=CC=CC(C)(C)[C@]23CC[C@H]1C3
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/t11-,15-/m0/s1
InChIKeyUIPKEVNEOFKIRG-NHYWBVRUSA-N
MW202.34 g/mol
LogP4.34
Rot. Bonds

About (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene

(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene (PubChem CID 91748457) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene.

Molecular Properties

Compound Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
PubChem CID91748457
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name(1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene
SMILESCC1(C)C2=CC=CC(C)(C)[C@]23CC[C@H]1C3
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/t11-,15-/m0/s1
InChIKeyUIPKEVNEOFKIRG-NHYWBVRUSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The IUPAC name of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene (CID 91748457) is (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene.
What is the SMILES notation for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The canonical SMILES for (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene is CC1(C)C2=CC=CC(C)(C)[C@]23CC[C@H]1C3.
What is the InChIKey of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
The InChIKey is UIPKEVNEOFKIRG-NHYWBVRUSA-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/t11-,15-/m0/s1.
What are the key properties of (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene?
(1R,8S)-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 (1R,8S)-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5-diene is sourced from PubChem (CID 91748457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).