(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

C15H24 — CID 15973057

IUPAC(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
SMILESCC1=CCC[C@@]2(C)[C@@H]3CC[C@]12CC3(C)C
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyZCJQJJWNFDNQGZ-SNPRPXQTSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene

(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene (PubChem CID 15973057) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene.

Molecular Properties

Compound Name(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
PubChem CID15973057
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene
SMILESCC1=CCC[C@@]2(C)[C@@H]3CC[C@]12CC3(C)C
InChIInChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1
InChIKeyZCJQJJWNFDNQGZ-SNPRPXQTSA-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 (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene?
The IUPAC name of (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene (CID 15973057) is (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene.
What is the SMILES notation for (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene?
The canonical SMILES for (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene is CC1=CCC[C@@]2(C)[C@@H]3CC[C@]12CC3(C)C.
What is the InChIKey of (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene?
The InChIKey is ZCJQJJWNFDNQGZ-SNPRPXQTSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-5-8-14(4)12-7-9-15(11,14)10-13(12,2)3/h6,12H,5,7-10H2,1-4H3/t12-,14+,15+/m1/s1.
What are the key properties of (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene?
(1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-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 (1S,6S,7R)-2,6,8,8-tetramethyltricyclo[5.2.2.01,6]undec-2-ene is sourced from PubChem (CID 15973057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).