1,2,4,5,6,6,7-heptamethylindene

C16H22 — CID 13085038

IUPAC1,2,4,5,6,6,7-heptamethylindene
SMILESCC1=C(C)C2=C(C)C(C)(C)C(C)=C(C)C2=C1
InChIInChI=1S/C16H22/c1-9-8-14-11(3)12(4)16(6,7)13(5)15(14)10(9)2/h8H,1-7H3
InChIKeyNJPNGBKKKRAOHK-UHFFFAOYSA-N
MW214.35 g/mol
LogP4.96
Rot. Bonds

About 1,2,4,5,6,6,7-heptamethylindene

1,2,4,5,6,6,7-heptamethylindene (PubChem CID 13085038) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,2,4,5,6,6,7-heptamethylindene.

Molecular Properties

Compound Name1,2,4,5,6,6,7-heptamethylindene
PubChem CID13085038
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1,2,4,5,6,6,7-heptamethylindene
SMILESCC1=C(C)C2=C(C)C(C)(C)C(C)=C(C)C2=C1
InChIInChI=1S/C16H22/c1-9-8-14-11(3)12(4)16(6,7)13(5)15(14)10(9)2/h8H,1-7H3
InChIKeyNJPNGBKKKRAOHK-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4,5,6,7,7-octamethylcyclohepta-1,3,5-triene
CID 160680879
2,3,3,4-tetramethylcyclohepta-1,4-diene
CID 121218571
CID 91217685
CID 91217685
(5'R)-5'-hydroxy-2',5',7'-trimethyl-4'-oxo-1'-[(sulfamoylamino)methyl]spiro[cyclopropane-1,6'-indene]
CID 45487198
bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);thorium(2+)
CID 173316501
1,2,3,5,5-pentamethyl-4-[(2,3,4,5,5-pentamethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 18941814
1-chloro-2,3,4,5,5-pentamethylcyclopenta-1,3-diene;ruthenium
CID 87244974
2-(3,4,4,5-tetramethylcyclohexa-2,5-dien-1-ylidene)acetaldehyde
CID 13128976
1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
CID 22664460
ethane;1,1,2,3-tetramethylindene
CID 90797870
hydride;bis(1,2,3,5,5-pentamethylcyclopenta-1,3-diene);zirconium(2+)
CID 173113537
4,5,6,6-tetramethylcyclohexa-2,4-dien-1-one
CID 21015441

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5,6,6,7-heptamethylindene?
The IUPAC name of 1,2,4,5,6,6,7-heptamethylindene (CID 13085038) is 1,2,4,5,6,6,7-heptamethylindene.
What is the SMILES notation for 1,2,4,5,6,6,7-heptamethylindene?
The canonical SMILES for 1,2,4,5,6,6,7-heptamethylindene is CC1=C(C)C2=C(C)C(C)(C)C(C)=C(C)C2=C1.
What is the InChIKey of 1,2,4,5,6,6,7-heptamethylindene?
The InChIKey is NJPNGBKKKRAOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-9-8-14-11(3)12(4)16(6,7)13(5)15(14)10(9)2/h8H,1-7H3.
What are the key properties of 1,2,4,5,6,6,7-heptamethylindene?
1,2,4,5,6,6,7-heptamethylindene has a molecular weight of 214.35 g/mol, XLogP of 4.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5,6,6,7-heptamethylindene is sourced from PubChem (CID 13085038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).