4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene

C13H20 — CID 15497622

IUPAC4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene
SMILESCC1=C2CCCC2=C(C)C(C)(C)C1
InChIInChI=1S/C13H20/c1-9-8-13(3,4)10(2)12-7-5-6-11(9)12/h5-8H2,1-4H3
InChIKeyOQBFGUZRVMLLDK-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.23
Rot. Bonds

About 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene

4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene (PubChem CID 15497622) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene.

Molecular Properties

Compound Name4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene
PubChem CID15497622
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene
SMILESCC1=C2CCCC2=C(C)C(C)(C)C1
InChIInChI=1S/C13H20/c1-9-8-13(3,4)10(2)12-7-5-6-11(9)12/h5-8H2,1-4H3
InChIKeyOQBFGUZRVMLLDK-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene
CID 59165315
tricyclo[4.3.0.02,7]nona-1,6-diene
CID 149382388
1,2-dimethylcyclopentene;molecular fluorine
CID 157100565
1,2,3,3-tetramethyl-5-propan-2-ylidenecyclopentene
CID 21018111
acetylene;1,1-dimethyl-2-methylidenecyclohexane
CID 91391286
1-[1,2-di(cyclopenten-1-yl)-2,3,4-trimethylcyclopent-3-en-1-yl]cyclohexene
CID 141211419
3,3,5,5-tetramethyl-1-(2,3,3-trimethylcyclopenten-1-yl)cyclohexene
CID 172680415
ethane;1,2,4,4-tetramethylcyclopentene
CID 144931776
(3aS,7aS)-7a-methyl-6-(2-methylcyclopenten-1-yl)-2,3,3a,7-tetrahydro-1H-inden-4-one
CID 10955384
methane;1,2,4,4-tetramethylcyclohexene
CID 153358945
4-methyl-3,5,6,7-tetrahydro-2H-indole
CID 123665372
benzene;1,2-dimethylcyclopentene;ethane
CID 164574417

Frequently Asked Questions

What is the IUPAC name of 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene?
The IUPAC name of 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene (CID 15497622) is 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene.
What is the SMILES notation for 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene?
The canonical SMILES for 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene is CC1=C2CCCC2=C(C)C(C)(C)C1.
What is the InChIKey of 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene?
The InChIKey is OQBFGUZRVMLLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9-8-13(3,4)10(2)12-7-5-6-11(9)12/h5-8H2,1-4H3.
What are the key properties of 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene?
4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene has a molecular weight of 176.30 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6,7-tetramethyl-1,2,3,5-tetrahydroindene is sourced from PubChem (CID 15497622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).