4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

C20H30 — CID 90686314

IUPAC4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCc1cc(C)cc(C2CCCC3CC(C(C)C)CC32)c1
InChIInChI=1S/C20H30/c1-13(2)17-11-16-6-5-7-19(20(16)12-17)18-9-14(3)8-15(4)10-18/h8-10,13,16-17,19-20H,5-7,11-12H2,1-4H3
InChIKeyGPKSPZYUQJVYOM-UHFFFAOYSA-N
MW270.46 g/mol
LogP5.87
Rot. Bonds2

About 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene

4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (PubChem CID 90686314) has the molecular formula C20H30 and a molecular weight of 270.46 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
PubChem CID90686314
Molecular FormulaC20H30
Molecular Weight270.46 g/mol
Exact Mass270.23
IUPAC Name4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
SMILESCc1cc(C)cc(C2CCCC3CC(C(C)C)CC32)c1
InChIInChI=1S/C20H30/c1-13(2)17-11-16-6-5-7-19(20(16)12-17)18-9-14(3)8-15(4)10-18/h8-10,13,16-17,19-20H,5-7,11-12H2,1-4H3
InChIKeyGPKSPZYUQJVYOM-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.46
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene (CID 90686314) is 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is Cc1cc(C)cc(C2CCCC3CC(C(C)C)CC32)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
The InChIKey is GPKSPZYUQJVYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30/c1-13(2)17-11-16-6-5-7-19(20(16)12-17)18-9-14(3)8-15(4)10-18/h8-10,13,16-17,19-20H,5-7,11-12H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene?
4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene has a molecular weight of 270.46 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene is sourced from PubChem (CID 90686314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).