3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene

C37H56 — CID 158188320

IUPAC3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESC.C.CC(C)(C)CC1=CCc2ccccc21.CC(C)Cc1ccccc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H18.C11H16.C10H14.2CH4/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;;/h4-7,9H,8,10H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*1H4
InChIKeyFZKQEEIIAPQUEV-UHFFFAOYSA-N
MW500.86 g/mol
LogP11.41
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene

3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene (PubChem CID 158188320) has the molecular formula C37H56 and a molecular weight of 500.86 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
PubChem CID158188320
Molecular FormulaC37H56
Molecular Weight500.86 g/mol
Exact Mass500.44
IUPAC Name3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene
SMILESC.C.CC(C)(C)CC1=CCc2ccccc21.CC(C)Cc1ccccc1.Cc1ccc(CC(C)C)cc1
InChIInChI=1S/C14H18.C11H16.C10H14.2CH4/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;;/h4-7,9H,8,10H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*1H4
InChIKeyFZKQEEIIAPQUEV-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(2,2-dimethylpropyl)-1H-imidazole;3-(2,2-dimethylpropyl)-1H-indene;2-methylpropylbenzene;4-(2-methylpropyl)benzene-1,2-diol;4-(2-methylpropyl)phenol
CID 158914275
3-(2-bromopropyl)-1H-indene
CID 23559641
ethane;2-methylpropylbenzene
CID 162200929
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
3-[(2S,5S)-6-fluoro-2,5-dimethylhexyl]-1H-indene
CID 157089800
1-tert-butyl-4-methylbenzene;1-(2,2-dimethylpropyl)-4-methylbenzene;1-methyl-4-(2-methylpropyl)benzene;1-methyl-4-propan-2-ylbenzene;1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene;toluene;1,4-xylene
CID 164964500
3-[[(2S)-2-(dimethylamino)-3-phenylpropyl]amino]-4-[[(2R)-1-(3H-inden-1-yl)propan-2-yl]amino]cyclobut-3-ene-1,2-dione
CID 135214144
(2S)-N-methyl-1-phenylpropan-2-amine;1,4-xylene
CID 174875624
2-(3H-inden-1-yl)-N-methylethanamine
CID 58164560
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
formic acid;2-methylpropylbenzene
CID 162001374
3-(chloromethyl)-1H-indene
CID 55301076

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The IUPAC name of 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene (CID 158188320) is 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The canonical SMILES for 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene is C.C.CC(C)(C)CC1=CCc2ccccc21.CC(C)Cc1ccccc1.Cc1ccc(CC(C)C)cc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
The InChIKey is FZKQEEIIAPQUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18.C11H16.C10H14.2CH4/c1-14(2,3)10-12-9-8-11-6-4-5-7-13(11)12;1-9(2)8-11-6-4-10(3)5-7-11;1-9(2)8-10-6-4-3-5-7-10;;/h4-7,9H,8,10H2,1-3H3;4-7,9H,8H2,1-3H3;3-7,9H,8H2,1-2H3;2*1H4.
What are the key properties of 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene?
3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene has a molecular weight of 500.86 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-1H-indene;methane;1-methyl-4-(2-methylpropyl)benzene;2-methylpropylbenzene is sourced from PubChem (CID 158188320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).