8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene

C14H22 — CID 123788496

IUPAC8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene
SMILESCCC1C2=C(C2)C2CC2CC(C)C1C
InChIInChI=1S/C14H22/c1-4-11-9(3)8(2)5-10-6-12(10)14-7-13(11)14/h8-12H,4-7H2,1-3H3
InChIKeyVJBRKQRLGXAWJN-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.02
Rot. Bonds1

About 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene

8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene (PubChem CID 123788496) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene.

Molecular Properties

Compound Name8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene
PubChem CID123788496
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene
SMILESCCC1C2=C(C2)C2CC2CC(C)C1C
InChIInChI=1S/C14H22/c1-4-11-9(3)8(2)5-10-6-12(10)14-7-13(11)14/h8-12H,4-7H2,1-3H3
InChIKeyVJBRKQRLGXAWJN-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.02
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 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene?
The IUPAC name of 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene (CID 123788496) is 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene.
What is the SMILES notation for 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene?
The canonical SMILES for 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene is CCC1C2=C(C2)C2CC2CC(C)C1C.
What is the InChIKey of 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene?
The InChIKey is VJBRKQRLGXAWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-4-11-9(3)8(2)5-10-6-12(10)14-7-13(11)14/h8-12H,4-7H2,1-3H3.
What are the key properties of 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene?
8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene has a molecular weight of 190.33 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-6,7-dimethyltricyclo[7.1.0.02,4]dec-1(9)-ene is sourced from PubChem (CID 123788496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).