3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene

C17H26 — CID 139772831

IUPAC3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
SMILESCC(C)c1ccc2c(c1C(C)C)CCC2(C)C
InChIInChI=1S/C17H26/c1-11(2)13-7-8-15-14(16(13)12(3)4)9-10-17(15,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyAJRTXTQNRAOQJZ-UHFFFAOYSA-N
MW230.39 g/mol
LogP5.16
Rot. Bonds2

About 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene

3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene (PubChem CID 139772831) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene.

Molecular Properties

Compound Name3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
PubChem CID139772831
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
SMILESCC(C)c1ccc2c(c1C(C)C)CCC2(C)C
InChIInChI=1S/C17H26/c1-11(2)13-7-8-15-14(16(13)12(3)4)9-10-17(15,5)6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyAJRTXTQNRAOQJZ-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.39
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene?
The IUPAC name of 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene (CID 139772831) is 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene.
What is the SMILES notation for 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene?
The canonical SMILES for 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene is CC(C)c1ccc2c(c1C(C)C)CCC2(C)C.
What is the InChIKey of 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene?
The InChIKey is AJRTXTQNRAOQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-11(2)13-7-8-15-14(16(13)12(3)4)9-10-17(15,5)6/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene?
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene has a molecular weight of 230.39 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene is sourced from PubChem (CID 139772831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).