(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene

C15H24 — CID 91746471

IUPAC(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene
SMILESC[C@@H]1CCC2=C1C[C@@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15+/m1/s1
InChIKeyCSKINCSXMLCMAR-ZETOZRRWSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene

(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene (PubChem CID 91746471) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene.

Molecular Properties

Compound Name(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene
PubChem CID91746471
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene
SMILESC[C@@H]1CCC2=C1C[C@@H]1CC[C@]2(C)C1(C)C
InChIInChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15+/m1/s1
InChIKeyCSKINCSXMLCMAR-ZETOZRRWSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene?
The IUPAC name of (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene (CID 91746471) is (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene.
What is the SMILES notation for (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene?
The canonical SMILES for (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene is C[C@@H]1CCC2=C1C[C@@H]1CC[C@]2(C)C1(C)C.
What is the InChIKey of (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene?
The InChIKey is CSKINCSXMLCMAR-ZETOZRRWSA-N. The full InChI is InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,15+/m1/s1.
What are the key properties of (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene?
(1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene has a molecular weight of 204.36 g/mol, XLogP of 4.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,8S)-1,5,11,11-tetramethyltricyclo[6.2.1.02,6]undec-2(6)-ene is sourced from PubChem (CID 91746471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).