3,4,8-trimethyl-1,5-dihydro-s-indacene

C15H16 — CID 140702039

IUPAC3,4,8-trimethyl-1,5-dihydro-s-indacene
SMILESCC1=CCc2c(C)c3c(c(C)c21)CC=C3
InChIInChI=1S/C15H16/c1-9-7-8-14-10(2)12-5-4-6-13(12)11(3)15(9)14/h4-5,7H,6,8H2,1-3H3
InChIKeyDMHHJEBKIGZGGG-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.83
Rot. Bonds

About 3,4,8-trimethyl-1,5-dihydro-s-indacene

3,4,8-trimethyl-1,5-dihydro-s-indacene (PubChem CID 140702039) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3,4,8-trimethyl-1,5-dihydro-s-indacene.

Molecular Properties

Compound Name3,4,8-trimethyl-1,5-dihydro-s-indacene
PubChem CID140702039
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3,4,8-trimethyl-1,5-dihydro-s-indacene
SMILESCC1=CCc2c(C)c3c(c(C)c21)CC=C3
InChIInChI=1S/C15H16/c1-9-7-8-14-10(2)12-5-4-6-13(12)11(3)15(9)14/h4-5,7H,6,8H2,1-3H3
InChIKeyDMHHJEBKIGZGGG-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4,8-trimethyl-1,5-dihydro-s-indacene?
The IUPAC name of 3,4,8-trimethyl-1,5-dihydro-s-indacene (CID 140702039) is 3,4,8-trimethyl-1,5-dihydro-s-indacene.
What is the SMILES notation for 3,4,8-trimethyl-1,5-dihydro-s-indacene?
The canonical SMILES for 3,4,8-trimethyl-1,5-dihydro-s-indacene is CC1=CCc2c(C)c3c(c(C)c21)CC=C3.
What is the InChIKey of 3,4,8-trimethyl-1,5-dihydro-s-indacene?
The InChIKey is DMHHJEBKIGZGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-9-7-8-14-10(2)12-5-4-6-13(12)11(3)15(9)14/h4-5,7H,6,8H2,1-3H3.
What are the key properties of 3,4,8-trimethyl-1,5-dihydro-s-indacene?
3,4,8-trimethyl-1,5-dihydro-s-indacene has a molecular weight of 196.29 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8-trimethyl-1,5-dihydro-s-indacene is sourced from PubChem (CID 140702039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).