3,3,6,7-tetramethyl-1,2-dihydroindene

C13H18 — CID 529435

IUPAC3,3,6,7-tetramethyl-1,2-dihydroindene
SMILESCc1ccc2c(c1C)CCC2(C)C
InChIInChI=1S/C13H18/c1-9-5-6-12-11(10(9)2)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3
InChIKeyBKSQAMSHSDSRGZ-UHFFFAOYSA-N
MW174.29 g/mol
LogP3.53
Rot. Bonds

About 3,3,6,7-tetramethyl-1,2-dihydroindene

3,3,6,7-tetramethyl-1,2-dihydroindene (PubChem CID 529435) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3,3,6,7-tetramethyl-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,6,7-tetramethyl-1,2-dihydroindene
PubChem CID529435
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3,3,6,7-tetramethyl-1,2-dihydroindene
SMILESCc1ccc2c(c1C)CCC2(C)C
InChIInChI=1S/C13H18/c1-9-5-6-12-11(10(9)2)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3
InChIKeyBKSQAMSHSDSRGZ-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3,6,7-tetramethyl-1,2-dihydroindene?
The IUPAC name of 3,3,6,7-tetramethyl-1,2-dihydroindene (CID 529435) is 3,3,6,7-tetramethyl-1,2-dihydroindene.
What is the SMILES notation for 3,3,6,7-tetramethyl-1,2-dihydroindene?
The canonical SMILES for 3,3,6,7-tetramethyl-1,2-dihydroindene is Cc1ccc2c(c1C)CCC2(C)C.
What is the InChIKey of 3,3,6,7-tetramethyl-1,2-dihydroindene?
The InChIKey is BKSQAMSHSDSRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-9-5-6-12-11(10(9)2)7-8-13(12,3)4/h5-6H,7-8H2,1-4H3.
What are the key properties of 3,3,6,7-tetramethyl-1,2-dihydroindene?
3,3,6,7-tetramethyl-1,2-dihydroindene has a molecular weight of 174.29 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,7-tetramethyl-1,2-dihydroindene is sourced from PubChem (CID 529435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).