8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene

C12H18 — CID 22949638

IUPAC8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC1C(C)C2CC1C1C=CCC12
InChIInChI=1S/C12H18/c1-7-8(2)12-6-11(7)9-4-3-5-10(9)12/h3-4,7-12H,5-6H2,1-2H3
InChIKeyGSWZOCQHMDEFKN-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.10
Rot. Bonds

About 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene

8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene (PubChem CID 22949638) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene.

Molecular Properties

Compound Name8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
PubChem CID22949638
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene
SMILESCC1C(C)C2CC1C1C=CCC12
InChIInChI=1S/C12H18/c1-7-8(2)12-6-11(7)9-4-3-5-10(9)12/h3-4,7-12H,5-6H2,1-2H3
InChIKeyGSWZOCQHMDEFKN-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
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

8-methyl-9-propyltricyclo[5.2.1.02,6]dec-3-ene
CID 59861025
8,9-diethyltricyclo[5.2.1.02,6]dec-3-ene
CID 59653739
ethane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-10-ene
CID 91063776
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
2,3-dimethylbicyclo[2.1.0]pentane
CID 91187762
[9-(hydroxymethyl)-8-tricyclo[5.2.1.02,6]dec-3-enyl]methanol
CID 15508536
(1R,7S,8R,12S)-3-ethyl-3-aluminatetracyclo[5.5.1.02,6.08,12]tridec-9-ene
CID 177478102
tricyclo[5.4.0.02,8]undec-9-ene
CID 14143162
7,8-dimethylbicyclo[4.2.0]oct-2-ene
CID 58852239
(1R,2R,6R,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 45356248
(1S,2S,6S,7S)-tricyclo[5.2.1.02,6]deca-3,8-diene
CID 98111802
(1R,2S,6S,7R,8R)-8-ethyltricyclo[5.2.1.02,6]dec-3-ene
CID 177450624

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The IUPAC name of 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene (CID 22949638) is 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene.
What is the SMILES notation for 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The canonical SMILES for 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene is CC1C(C)C2CC1C1C=CCC12.
What is the InChIKey of 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
The InChIKey is GSWZOCQHMDEFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-7-8(2)12-6-11(7)9-4-3-5-10(9)12/h3-4,7-12H,5-6H2,1-2H3.
What are the key properties of 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene?
8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene has a molecular weight of 162.28 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyltricyclo[5.2.1.02,6]dec-3-ene is sourced from PubChem (CID 22949638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).