1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene

C61H88 — CID 161479157

IUPAC1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene
SMILESCC(C)Cc1ccc2ccccc2c1C(C)C.CC(C)Cc1ccccc1C(C)C.CC(C)c1cccc2c1C(C(C)C)CC2.CC(C)c1cccc2c1C(C(C)C)CCC2
InChIInChI=1S/C17H22.C16H24.C15H22.C13H20/c1-12(2)11-15-10-9-14-7-5-6-8-16(14)17(15)13(3)4;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-10(2)13-7-5-6-12-8-9-14(11(3)4)15(12)13;1-10(2)9-12-7-5-6-8-13(12)11(3)4/h5-10,12-13H,11H2,1-4H3;5,7,9,11-12,15H,6,8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyWECWHTRVHSVFEX-UHFFFAOYSA-N
MW821.38 g/mol
LogP18.55
Rot. Bonds10

About 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene

1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene (PubChem CID 161479157) has the molecular formula C61H88 and a molecular weight of 821.38 g/mol. Its IUPAC name is 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene.

Molecular Properties

Compound Name1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene
PubChem CID161479157
Molecular FormulaC61H88
Molecular Weight821.38 g/mol
Exact Mass820.69
IUPAC Name1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene
SMILESCC(C)Cc1ccc2ccccc2c1C(C)C.CC(C)Cc1ccccc1C(C)C.CC(C)c1cccc2c1C(C(C)C)CC2.CC(C)c1cccc2c1C(C(C)C)CCC2
InChIInChI=1S/C17H22.C16H24.C15H22.C13H20/c1-12(2)11-15-10-9-14-7-5-6-8-16(14)17(15)13(3)4;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-10(2)13-7-5-6-12-8-9-14(11(3)4)15(12)13;1-10(2)9-12-7-5-6-8-13(12)11(3)4/h5-10,12-13H,11H2,1-4H3;5,7,9,11-12,15H,6,8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3
InChIKeyWECWHTRVHSVFEX-UHFFFAOYSA-N
XLogP18.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.38
LogP ≤ 518.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene with MolForge

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Related Compounds

1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-methyl-3-(2-methylpropyl)-2-propan-2-ylbenzene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene
CID 160718049
8-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 12778774
2,3-dihydro-1H-inden-1-yl(naphthalen-1-yl)methanol
CID 65411181
5-ethyl-1,2,3,4-tetrahydronaphthalene;1-propan-2-ylnaphthalene
CID 166553359
1-methyl-7-propan-2-yl-2,3-dihydro-1H-indene
CID 158866458
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
4,5-di(propan-2-yl)-3,4-dihydro-1H-isochromene
CID 170669206
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
5,6-di(propan-2-yl)-2,3,4,5-tetrahydro-1-benzothiepine
CID 170669166
(2R)-1-methyl-2-[[(1R)-7-propan-2-yl-2,3-dihydro-1H-inden-1-yl]methyl]pyrrolidine
CID 178102594
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409

Frequently Asked Questions

What is the IUPAC name of 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene?
The IUPAC name of 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene (CID 161479157) is 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene.
What is the SMILES notation for 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene?
The canonical SMILES for 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene is CC(C)Cc1ccc2ccccc2c1C(C)C.CC(C)Cc1ccccc1C(C)C.CC(C)c1cccc2c1C(C(C)C)CC2.CC(C)c1cccc2c1C(C(C)C)CCC2.
What is the InChIKey of 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene?
The InChIKey is WECWHTRVHSVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C16H24.C15H22.C13H20/c1-12(2)11-15-10-9-14-7-5-6-8-16(14)17(15)13(3)4;1-11(2)14-9-5-7-13-8-6-10-15(12(3)4)16(13)14;1-10(2)13-7-5-6-12-8-9-14(11(3)4)15(12)13;1-10(2)9-12-7-5-6-8-13(12)11(3)4/h5-10,12-13H,11H2,1-4H3;5,7,9,11-12,15H,6,8,10H2,1-4H3;5-7,10-11,14H,8-9H2,1-4H3;5-8,10-11H,9H2,1-4H3.
What are the key properties of 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene?
1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene has a molecular weight of 821.38 g/mol, XLogP of 18.55, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(propan-2-yl)-2,3-dihydro-1H-indene;1,8-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;1-(2-methylpropyl)-2-propan-2-ylbenzene;2-(2-methylpropyl)-1-propan-2-ylnaphthalene is sourced from PubChem (CID 161479157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).