1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene

C15H24 — CID 71319421

IUPAC1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene
SMILESCC1(C)CCC2=C1C1(C)CCC2(C)CC1
InChIInChI=1S/C15H24/c1-13(2)6-5-11-12(13)15(4)9-7-14(11,3)8-10-15/h5-10H2,1-4H3
InChIKeyRBSDZMGNCICTCP-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.70
Rot. Bonds

About 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene

1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene (PubChem CID 71319421) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene.

Molecular Properties

Compound Name1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene
PubChem CID71319421
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene
SMILESCC1(C)CCC2=C1C1(C)CCC2(C)CC1
InChIInChI=1S/C15H24/c1-13(2)6-5-11-12(13)15(4)9-7-14(11,3)8-10-15/h5-10H2,1-4H3
InChIKeyRBSDZMGNCICTCP-UHFFFAOYSA-N
XLogP4.70
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 ≤ 54.70
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 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene?
The IUPAC name of 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene (CID 71319421) is 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene.
What is the SMILES notation for 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene?
The canonical SMILES for 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene is CC1(C)CCC2=C1C1(C)CCC2(C)CC1.
What is the InChIKey of 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene?
The InChIKey is RBSDZMGNCICTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)6-5-11-12(13)15(4)9-7-14(11,3)8-10-15/h5-10H2,1-4H3.
What are the key properties of 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene?
1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene has a molecular weight of 204.36 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7-tetramethyltricyclo[5.2.2.02,6]undec-2(6)-ene is sourced from PubChem (CID 71319421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).