2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene

C12H18 — CID 15558667

IUPAC2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC12C=CCC1(C)C1CCC2C1
InChIInChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyHKLBEHRJWPWLOB-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.39
Rot. Bonds

About 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene

2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 15558667) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID15558667
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC12C=CCC1(C)C1CCC2C1
InChIInChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3
InChIKeyHKLBEHRJWPWLOB-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.39
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

CID 10889018
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CID 3033878
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CID 95605
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CID 10534
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CID 10047
CID 10047
CID 136844
CID 136844
CID 11009055
CID 11009055
CID 89528
CID 89528
CID 44567200
CID 44567200
CID 57501472
CID 57501472
CID 605073
CID 605073
CID 6431197
CID 6431197

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene (CID 15558667) is 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene is CC12C=CCC1(C)C1CCC2C1.
What is the InChIKey of 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is HKLBEHRJWPWLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-11-6-3-7-12(11,2)10-5-4-9(11)8-10/h3,6,9-10H,4-5,7-8H2,1-2H3.
What are the key properties of 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 15558667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).