(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene

C15H24 — CID 42608195

IUPAC(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
SMILESCC1=CC(C)(C)[C@@]23CCC[C@@]12[C@@H](C)CC3
InChIInChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14-,15+/m0/s1
InChIKeyAPGXRXFCBZKIAN-TUKIKUTGSA-N
MW204.36 g/mol
LogP4.56
Rot. Bonds

About (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene

(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene (PubChem CID 42608195) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene.

Molecular Properties

Compound Name(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
PubChem CID42608195
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene
SMILESCC1=CC(C)(C)[C@@]23CCC[C@@]12[C@@H](C)CC3
InChIInChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14-,15+/m0/s1
InChIKeyAPGXRXFCBZKIAN-TUKIKUTGSA-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,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene?
The IUPAC name of (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene (CID 42608195) is (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene.
What is the SMILES notation for (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene?
The canonical SMILES for (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene is CC1=CC(C)(C)[C@@]23CCC[C@@]12[C@@H](C)CC3.
What is the InChIKey of (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene?
The InChIKey is APGXRXFCBZKIAN-TUKIKUTGSA-N. The full InChI is InChI=1S/C15H24/c1-11-6-9-14-7-5-8-15(11,14)12(2)10-13(14,3)4/h10-11H,5-9H2,1-4H3/t11-,14-,15+/m0/s1.
What are the key properties of (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene?
(1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]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 (1R,5S,8S)-2,4,4,8-tetramethyltricyclo[3.3.3.01,5]undec-2-ene is sourced from PubChem (CID 42608195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).