2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene

C15H24 — CID 570529

IUPAC2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene
SMILESCC1(C)CC=CC2(C)C3CCC2(C)CC31
InChIInChI=1S/C15H24/c1-13(2)7-5-8-15(4)11-6-9-14(15,3)10-12(11)13/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyKDCDEJOGNTYMEQ-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.41
Rot. Bonds

About 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene

2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene (PubChem CID 570529) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene.

Molecular Properties

Compound Name2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene
PubChem CID570529
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene
SMILESCC1(C)CC=CC2(C)C3CCC2(C)CC31
InChIInChI=1S/C15H24/c1-13(2)7-5-8-15(4)11-6-9-14(15,3)10-12(11)13/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyKDCDEJOGNTYMEQ-UHFFFAOYSA-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 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene?
The IUPAC name of 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene (CID 570529) is 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene.
What is the SMILES notation for 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene?
The canonical SMILES for 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene is CC1(C)CC=CC2(C)C3CCC2(C)CC31.
What is the InChIKey of 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene?
The InChIKey is KDCDEJOGNTYMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-13(2)7-5-8-15(4)11-6-9-14(15,3)10-12(11)13/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene?
2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-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 2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undec-3-ene is sourced from PubChem (CID 570529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).