6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene

C14H18 — CID 173322615

IUPAC6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene
SMILESC=Cc1ccc2c(c1)CC(C)C2(C)C
InChIInChI=1S/C14H18/c1-5-11-6-7-13-12(9-11)8-10(2)14(13,3)4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyPGHBCMDFVSTFAX-UHFFFAOYSA-N
MW186.30 g/mol
LogP3.80
Rot. Bonds1

About 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene

6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene (PubChem CID 173322615) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene
PubChem CID173322615
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene
SMILESC=Cc1ccc2c(c1)CC(C)C2(C)C
InChIInChI=1S/C14H18/c1-5-11-6-7-13-12(9-11)8-10(2)14(13,3)4/h5-7,9-10H,1,8H2,2-4H3
InChIKeyPGHBCMDFVSTFAX-UHFFFAOYSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene?
The IUPAC name of 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene (CID 173322615) is 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene.
What is the SMILES notation for 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene?
The canonical SMILES for 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene is C=Cc1ccc2c(c1)CC(C)C2(C)C.
What is the InChIKey of 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene?
The InChIKey is PGHBCMDFVSTFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-5-11-6-7-13-12(9-11)8-10(2)14(13,3)4/h5-7,9-10H,1,8H2,2-4H3.
What are the key properties of 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene?
6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene has a molecular weight of 186.30 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-2,3,3-trimethyl-1,2-dihydroindene is sourced from PubChem (CID 173322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).