methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)

C84H90O — CID 165069498

IUPACmethane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)
SMILESC.C=C1Cc2ccc(C)cc2C1.C=C1Cc2ccc(C)cc2C1.C=C1Cc2cccc(C)c2C1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1cccc2c1C=CC2.Cc1cccc2c1CC(=O)C2.Cc1cccc2c1CC=C2
InChIInChI=1S/3C11H12.C10H10O.4C10H10.CH4/c2*1-8-3-4-10-6-9(2)7-11(10)5-8;1-8-6-10-5-3-4-9(2)11(10)7-8;1-7-3-2-4-8-5-9(11)6-10(7)8;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;/h2*3-5H,2,6-7H2,1H3;3-5H,1,6-7H2,2H3;2-4H,5-6H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;1H4
InChIKeySNHKWIWJAPFJRR-UHFFFAOYSA-N
MW1115.64 g/mol
LogP20.51
Rot. Bonds

About methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)

methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) (PubChem CID 165069498) has the molecular formula C84H90O and a molecular weight of 1115.64 g/mol. Its IUPAC name is methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene).

Molecular Properties

Compound Namemethane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)
PubChem CID165069498
Molecular FormulaC84H90O
Molecular Weight1115.64 g/mol
Exact Mass1114.70
IUPAC Namemethane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)
SMILESC.C=C1Cc2ccc(C)cc2C1.C=C1Cc2ccc(C)cc2C1.C=C1Cc2cccc(C)c2C1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1cccc2c1C=CC2.Cc1cccc2c1CC(=O)C2.Cc1cccc2c1CC=C2
InChIInChI=1S/3C11H12.C10H10O.4C10H10.CH4/c2*1-8-3-4-10-6-9(2)7-11(10)5-8;1-8-6-10-5-3-4-9(2)11(10)7-8;1-7-3-2-4-8-5-9(11)6-10(7)8;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;/h2*3-5H,2,6-7H2,1H3;3-5H,1,6-7H2,2H3;2-4H,5-6H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;1H4
InChIKeySNHKWIWJAPFJRR-UHFFFAOYSA-N
XLogP20.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.64
LogP ≤ 520.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) with MolForge

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Related Compounds

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1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
benzene;1H-indene;naphthalene;toluene;1,3,5-trimethylbenzene;1,2-xylene
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6-tert-butyl-2,3-dihydro-1H-pyrrolo[1,2-a]indole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;6-tert-butyl-1H-indene;7-tert-butyl-1H-indene;ethane
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1-benzofuran;4-ethyl-1H-indene;5-ethyl-1H-indene;6-ethyl-1H-indene;7-ethyl-1H-indene;1H-indene;1H-inden-4-ol;1H-inden-5-ol;3H-inden-4-ol;3H-inden-5-ol;1H-inden-4-yl acetate;1H-inden-5-yl acetate;3H-inden-4-yl acetate;3H-inden-5-yl acetate;4-methoxy-1H-indene;5-methoxy-1H-indene;6-methoxy-1H-indene;7-methoxy-1H-indene;4-methyl-1-benzofuran;5-methyl-1-benzofuran;6-methyl-1-benzofuran;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene
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1-methyl-1H-indene;2-methyl-1H-indene;3-methyl-1H-indene;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;1-methylindolizine;2-methylindolizine;3-methylindolizine;5-methylindolizine;6-methylindolizine;7-methylindolizine;8-methylindolizine;1-methylnaphthalene;2-methylnaphthalene;1-methylpentalene;1-methylpentalene;2-methylpentalene
CID 169428332
benzene;ethane;5-methyl-1H-indene;3'-methyl-6-methylidenespiro[8,9-dihydro-7H-benzo[7]annulene-5,9'-fluorene];1-methyl-4-(4-methylphenyl)benzene;1-methylnaphthalene;toluene
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copper;1H-indene
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Frequently Asked Questions

What is the IUPAC name of methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)?
The IUPAC name of methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) (CID 165069498) is methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene).
What is the SMILES notation for methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)?
The canonical SMILES for methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) is C.C=C1Cc2ccc(C)cc2C1.C=C1Cc2ccc(C)cc2C1.C=C1Cc2cccc(C)c2C1.Cc1ccc2c(c1)C=CC2.Cc1ccc2c(c1)CC=C2.Cc1cccc2c1C=CC2.Cc1cccc2c1CC(=O)C2.Cc1cccc2c1CC=C2.
What is the InChIKey of methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)?
The InChIKey is SNHKWIWJAPFJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H12.C10H10O.4C10H10.CH4/c2*1-8-3-4-10-6-9(2)7-11(10)5-8;1-8-6-10-5-3-4-9(2)11(10)7-8;1-7-3-2-4-8-5-9(11)6-10(7)8;2*1-8-4-2-5-9-6-3-7-10(8)9;2*1-8-5-6-9-3-2-4-10(9)7-8;/h2*3-5H,2,6-7H2,1H3;3-5H,1,6-7H2,2H3;2-4H,5-6H2,1H3;2-5,7H,6H2,1H3;2-6H,7H2,1H3;2,4-7H,3H2,1H3;2-3,5-7H,4H2,1H3;1H4.
What are the key properties of methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene)?
methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) has a molecular weight of 1115.64 g/mol, XLogP of 20.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methyl-1,3-dihydroinden-2-one;4-methyl-1H-indene;5-methyl-1H-indene;6-methyl-1H-indene;7-methyl-1H-indene;4-methyl-2-methylidene-1,3-dihydroindene;bis(5-methyl-2-methylidene-1,3-dihydroindene) is sourced from PubChem (CID 165069498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).