6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane

C29H42 — CID 160834293

IUPAC6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane
SMILESC.Cc1cc(C(C)(C)C)cc2c1=CCC=2.Cc1cc(C(C)(C)C)cc2c1CCC2
InChIInChI=1S/C14H20.C14H18.CH4/c2*1-10-8-12(14(2,3)4)9-11-6-5-7-13(10)11;/h8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4
InChIKeySHFBMFNODCJVFI-UHFFFAOYSA-N
MW390.66 g/mol
LogP6.67
Rot. Bonds

About 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane

6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane (PubChem CID 160834293) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane.

Molecular Properties

Compound Name6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane
PubChem CID160834293
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane
SMILESC.Cc1cc(C(C)(C)C)cc2c1=CCC=2.Cc1cc(C(C)(C)C)cc2c1CCC2
InChIInChI=1S/C14H20.C14H18.CH4/c2*1-10-8-12(14(2,3)4)9-11-6-5-7-13(10)11;/h8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4
InChIKeySHFBMFNODCJVFI-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,6-Trimethyl-1,2-dihydronaphthalene
CID 121677
Cuparene
CID 86895
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
1,1,2,3,3-Pentamethylindan
CID 14549
1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-
CID 77154
5-tert-Butyl-1,2,3-trimethylbenzene
CID 66811
phi,psi-Carotene
CID 10098570
beta-Isorenieratene
CID 10098571
1,3,5(10)-Estratriene
CID 150899
Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
CID 6663
2-Methylfluorene
CID 15026
2-Ethyl-9H-fluorene
CID 274939

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane?
The IUPAC name of 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane (CID 160834293) is 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane.
What is the SMILES notation for 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane?
The canonical SMILES for 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane is C.Cc1cc(C(C)(C)C)cc2c1=CCC=2.Cc1cc(C(C)(C)C)cc2c1CCC2.
What is the InChIKey of 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane?
The InChIKey is SHFBMFNODCJVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C14H18.CH4/c2*1-10-8-12(14(2,3)4)9-11-6-5-7-13(10)11;/h8-9H,5-7H2,1-4H3;6-9H,5H2,1-4H3;1H4.
What are the key properties of 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane?
6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane has a molecular weight of 390.66 g/mol, XLogP of 6.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methyl-2,3-dihydro-1H-indene;6-tert-butyl-4-methyl-2H-indene;methane is sourced from PubChem (CID 160834293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).