5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene

C15H22 — CID 143661955

IUPAC5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene
SMILESC=CC1=C(CC)C=C2CCC(C)C2(C)C1
InChIInChI=1S/C15H22/c1-5-12-9-14-8-7-11(3)15(14,4)10-13(12)6-2/h6,9,11H,2,5,7-8,10H2,1,3-4H3
InChIKeyJWGWTFRBFLRZAI-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.65
Rot. Bonds2

About 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene

5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene (PubChem CID 143661955) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene.

Molecular Properties

Compound Name5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene
PubChem CID143661955
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene
SMILESC=CC1=C(CC)C=C2CCC(C)C2(C)C1
InChIInChI=1S/C15H22/c1-5-12-9-14-8-7-11(3)15(14,4)10-13(12)6-2/h6,9,11H,2,5,7-8,10H2,1,3-4H3
InChIKeyJWGWTFRBFLRZAI-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The IUPAC name of 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene (CID 143661955) is 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene.
What is the SMILES notation for 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The canonical SMILES for 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene is C=CC1=C(CC)C=C2CCC(C)C2(C)C1.
What is the InChIKey of 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
The InChIKey is JWGWTFRBFLRZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-5-12-9-14-8-7-11(3)15(14,4)10-13(12)6-2/h6,9,11H,2,5,7-8,10H2,1,3-4H3.
What are the key properties of 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene?
5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene has a molecular weight of 202.34 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-ethyl-3,3a-dimethyl-1,2,3,4-tetrahydroindene is sourced from PubChem (CID 143661955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).