(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

C15H24 — CID 150596922

IUPAC(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
SMILESCC1=CC[C@@]23CC1C(C)(C)C2CC[C@@H]3C
InChIInChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15-/m0/s1
InChIKeyIRAQOCYXUMOFCW-CLTVBZQCSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene (PubChem CID 150596922) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene.

Molecular Properties

Compound Name(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
PubChem CID150596922
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
SMILESCC1=CC[C@@]23CC1C(C)(C)C2CC[C@@H]3C
InChIInChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15-/m0/s1
InChIKeyIRAQOCYXUMOFCW-CLTVBZQCSA-N
XLogP4.41
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 ≤ 54.41
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 (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The IUPAC name of (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene (CID 150596922) is (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene.
What is the SMILES notation for (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The canonical SMILES for (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene is CC1=CC[C@@]23CC1C(C)(C)C2CC[C@@H]3C.
What is the InChIKey of (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The InChIKey is IRAQOCYXUMOFCW-CLTVBZQCSA-N. The full InChI is InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12?,13?,15-/m0/s1.
What are the key properties of (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene has a molecular weight of 204.36 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene is sourced from PubChem (CID 150596922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).