(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

C15H24 — CID 162889144

IUPAC(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
SMILESCC1=CC[C@]23CCC[C@@]2(C)C(C)(C)[C@H]1C3
InChIInChI=1S/C15H24/c1-11-6-9-15-8-5-7-14(15,4)13(2,3)12(11)10-15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeyXNXMZMQOYFJNNZ-QEJZJMRPSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene

(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene (PubChem CID 162889144) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene.

Molecular Properties

Compound Name(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
PubChem CID162889144
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
SMILESCC1=CC[C@]23CCC[C@@]2(C)C(C)(C)[C@H]1C3
InChIInChI=1S/C15H24/c1-11-6-9-15-8-5-7-14(15,4)13(2,3)12(11)10-15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
InChIKeyXNXMZMQOYFJNNZ-QEJZJMRPSA-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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Related Compounds

1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 524193
(1R,2R,6S)-1,2,6,8-tetramethyltricyclo[5.3.1.02,6]undec-8-ene
CID 6427471
(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 10953589
(1R,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 130891185
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 6451618
(3S,3aR,8aR)-3,5,5,8-tetramethyl-1,2,3,4,6,8a-hexahydroazulen-3a-ol
CID 11052868
(1R,2R,7S)-6,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-2-carbaldehyde
CID 91747904
(1S,2S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 150596922
(1S,2S,5S,7S)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene
CID 1201552
(1S,2S,7S,10S,12R)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadec-13-ene
CID 15907362
(1S,2R,5S,6S,7S)-2,6,8-trimethyltricyclo[5.3.1.01,5]undec-8-ene-6-carbaldehyde
CID 162906642
(1R,9R)-4,4,10-trimethyltricyclo[7.3.1.01,6]trideca-6,10-diene-2,8-dione
CID 6932682

Frequently Asked Questions

What is the IUPAC name of (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The IUPAC name of (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene (CID 162889144) is (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene.
What is the SMILES notation for (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The canonical SMILES for (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene is CC1=CC[C@]23CCC[C@@]2(C)C(C)(C)[C@H]1C3.
What is the InChIKey of (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
The InChIKey is XNXMZMQOYFJNNZ-QEJZJMRPSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-9-15-8-5-7-14(15,4)13(2,3)12(11)10-15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1.
What are the key properties of (1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene?
(1S,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-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,5R,7S)-5,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene is sourced from PubChem (CID 162889144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).