1,1,3-trimethyl-4,5,6,7-tetrahydroindene

C12H18 — CID 174060691

IUPAC1,1,3-trimethyl-4,5,6,7-tetrahydroindene
SMILESCC1=CC(C)(C)C2=C1CCCC2
InChIInChI=1S/C12H18/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h8H,4-7H2,1-3H3
InChIKeySAWSHHYQYZZJIW-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.84
Rot. Bonds

About 1,1,3-trimethyl-4,5,6,7-tetrahydroindene

1,1,3-trimethyl-4,5,6,7-tetrahydroindene (PubChem CID 174060691) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1,1,3-trimethyl-4,5,6,7-tetrahydroindene.

Molecular Properties

Compound Name1,1,3-trimethyl-4,5,6,7-tetrahydroindene
PubChem CID174060691
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1,1,3-trimethyl-4,5,6,7-tetrahydroindene
SMILESCC1=CC(C)(C)C2=C1CCCC2
InChIInChI=1S/C12H18/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h8H,4-7H2,1-3H3
InChIKeySAWSHHYQYZZJIW-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
CID 144813213
ethane;3-methyl-4,5,6,7-tetrahydro-1H-indene
CID 142044962
2-methyl-4,5,6,7-tetrahydroinden-1-one
CID 142636804
1,3,3,4-tetramethyl-6-methylidenecyclohexa-1,4-diene
CID 121222805
2,2,4-trimethyl-1-[2-(2,2,4-trimethyl-5,6,7,8-tetrahydroquinolin-1-yl)ethyl]quinoline
CID 59931545
6-methylbicyclo[3.2.0]hepta-1(5),6-diene
CID 91189897
5,5,6,7-tetramethyl-2,3,4,6-tetrahydro-1H-naphthalene
CID 90761066
pentacyclo[14.12.0.02,15.08,23.09,22]octacosa-1(16),2(15),8,22-tetraene
CID 15164275
4,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalene
CID 71441384
CID 22259720
CID 22259720
7,7-dimethoxy-1,2,3,4,5,6-hexahydrocyclopenta[a]pentalene
CID 590669
3-(1,3-dimethylcyclohex-2-en-1-yl)-1,3-dimethylcyclohexene
CID 10751327

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trimethyl-4,5,6,7-tetrahydroindene?
The IUPAC name of 1,1,3-trimethyl-4,5,6,7-tetrahydroindene (CID 174060691) is 1,1,3-trimethyl-4,5,6,7-tetrahydroindene.
What is the SMILES notation for 1,1,3-trimethyl-4,5,6,7-tetrahydroindene?
The canonical SMILES for 1,1,3-trimethyl-4,5,6,7-tetrahydroindene is CC1=CC(C)(C)C2=C1CCCC2.
What is the InChIKey of 1,1,3-trimethyl-4,5,6,7-tetrahydroindene?
The InChIKey is SAWSHHYQYZZJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9-8-12(2,3)11-7-5-4-6-10(9)11/h8H,4-7H2,1-3H3.
What are the key properties of 1,1,3-trimethyl-4,5,6,7-tetrahydroindene?
1,1,3-trimethyl-4,5,6,7-tetrahydroindene has a molecular weight of 162.28 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trimethyl-4,5,6,7-tetrahydroindene is sourced from PubChem (CID 174060691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).