1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene

C20H22 — CID 59165309

IUPAC1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene
SMILESCC1=C2CC=CCC2=C(C2=C3CC=CCC3=C(C)C2)C1
InChIInChI=1S/C20H22/c1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20/h3-6H,7-12H2,1-2H3
InChIKeyFLHLFRXTONBYFR-UHFFFAOYSA-N
MW262.40 g/mol
LogP5.72
Rot. Bonds1

About 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene

1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene (PubChem CID 59165309) has the molecular formula C20H22 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene.

Molecular Properties

Compound Name1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene
PubChem CID59165309
Molecular FormulaC20H22
Molecular Weight262.40 g/mol
Exact Mass262.17
IUPAC Name1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene
SMILESCC1=C2CC=CCC2=C(C2=C3CC=CCC3=C(C)C2)C1
InChIInChI=1S/C20H22/c1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20/h3-6H,7-12H2,1-2H3
InChIKeyFLHLFRXTONBYFR-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.40
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
2-methylcyclohexa-1,4-diene-1-carboxylic acid
CID 55298937
1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene
CID 161042822
1,3-dimethyl-4,5-dihydro-2H-indene
CID 158841865
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane
CID 158813284
5,8-dimethyl-1,4-dihydronaphthalene
CID 15646930
2,7-dimethylcyclodeca-1,4,7-triene
CID 162884907
3,6-diethyl-2,5-dimethyl-1,4-dihydropentalene;ethane;methane;propane
CID 159803320
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene
CID 19977693
5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene
CID 157152475
5,6-dimethyl-4H-azepine
CID 123479096

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene?
The IUPAC name of 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene (CID 59165309) is 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene.
What is the SMILES notation for 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene?
The canonical SMILES for 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene is CC1=C2CC=CCC2=C(C2=C3CC=CCC3=C(C)C2)C1.
What is the InChIKey of 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene?
The InChIKey is FLHLFRXTONBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22/c1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20/h3-6H,7-12H2,1-2H3.
What are the key properties of 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene?
1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene has a molecular weight of 262.40 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene is sourced from PubChem (CID 59165309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).