2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene

C21H32 — CID 162270139

IUPAC2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC1CC2CCC=CC2C1CC1C(C)CC2CCC=CC21
InChIInChI=1S/C21H32/c1-14-11-16-7-3-5-9-18(16)20(14)13-21-15(2)12-17-8-4-6-10-19(17)21/h5-6,9-10,14-21H,3-4,7-8,11-13H2,1-2H3
InChIKeyRYYYOTHPQOIFQA-UHFFFAOYSA-N
MW284.49 g/mol
LogP5.85
Rot. Bonds2

About 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene

2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene (PubChem CID 162270139) has the molecular formula C21H32 and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene.

Molecular Properties

Compound Name2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene
PubChem CID162270139
Molecular FormulaC21H32
Molecular Weight284.49 g/mol
Exact Mass284.25
IUPAC Name2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene
SMILESCC1CC2CCC=CC2C1CC1C(C)CC2CCC=CC21
InChIInChI=1S/C21H32/c1-14-11-16-7-3-5-9-18(16)20(14)13-21-15(2)12-17-8-4-6-10-19(17)21/h5-6,9-10,14-21H,3-4,7-8,11-13H2,1-2H3
InChIKeyRYYYOTHPQOIFQA-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.49
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene with MolForge

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Related Compounds

2,4a,4b,7,8,8a,9,9a-octahydro-1H-fluorene
CID 91529219
(1S,6R,8S)-8-cyclopropylbicyclo[4.2.0]oct-2-ene
CID 102232466
1,3-dimethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 23572815
7,8-dimethylbicyclo[4.2.0]oct-2-ene
CID 58852239
(3S)-3-methylcyclopentene
CID 11018803
1,2-diethyl-2,3,3a,4,5,7a-hexahydroindole
CID 88719545
1-methyl-2,3,4,4a,4b,7,8,8a,9,9a-decahydro-1H-carbazole
CID 89395462
(1S,8S)-bicyclo[6.1.0]non-4-ene
CID 95564639
butane;3-methylcyclopentene
CID 143221247
[(1S,3aR,7aS)-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl]oxy-triethylsilane
CID 101243614
(1S,2R,7S,8R)-tricyclo[6.5.0.02,7]tridec-3-ene
CID 57381599
(4Z)-bicyclo[6.1.0]non-4-en-3-ol
CID 89182482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene?
The IUPAC name of 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene (CID 162270139) is 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene.
What is the SMILES notation for 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene?
The canonical SMILES for 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene is CC1CC2CCC=CC2C1CC1C(C)CC2CCC=CC21.
What is the InChIKey of 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene?
The InChIKey is RYYYOTHPQOIFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32/c1-14-11-16-7-3-5-9-18(16)20(14)13-21-15(2)12-17-8-4-6-10-19(17)21/h5-6,9-10,14-21H,3-4,7-8,11-13H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene?
2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene has a molecular weight of 284.49 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyl-2,3,3a,4,5,7a-hexahydro-1H-inden-1-yl)methyl]-2,3,3a,4,5,7a-hexahydro-1H-indene is sourced from PubChem (CID 162270139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).