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

C27H40 — CID 169144923

IUPAC1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
SMILESC.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1Cc2ccccc2C1
InChIInChI=1S/2C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;/h2*4-7,12H,8-9H2,1-3H3;1H4
InChIKeyNDYWPZUDYZLUGS-UHFFFAOYSA-N
MW364.62 g/mol
LogP7.85
Rot. Bonds

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

1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane (PubChem CID 169144923) has the molecular formula C27H40 and a molecular weight of 364.62 g/mol. Its IUPAC name is 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane.

Molecular Properties

Compound Name1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
PubChem CID169144923
Molecular FormulaC27H40
Molecular Weight364.62 g/mol
Exact Mass364.31
IUPAC Name1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane
SMILESC.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1Cc2ccccc2C1
InChIInChI=1S/2C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;/h2*4-7,12H,8-9H2,1-3H3;1H4
InChIKeyNDYWPZUDYZLUGS-UHFFFAOYSA-N
XLogP7.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.62
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-2,3-dihydro-1H-indene;methane
CID 159665212
1-tert-butylcyclohexene;1-tert-butyl-2,3-dihydro-1H-indene
CID 159886761
4-tert-butyl-3,4-dihydro-2H-chromene;1-tert-butyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 159517528
3-[2-(2,3-dihydro-1H-inden-1-yl)propan-2-yloxy]-3-oxopropanoic acid
CID 170442750
(1R)-1-tert-butyl-5-chloro-2,3-dihydro-1H-indene
CID 71027763
[(1S)-2,3-dihydro-1H-inden-1-yl]-trimethylazanium
CID 57317290
4-tert-butyl-1,2,3,4-tetrahydroisoquinoline
CID 58837525
1-tert-butyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene
CID 23542126
3-tert-butyl-4,5-dihydro-3H-1-benzazepin-1-id-2-one;rubidium(1+)
CID 58765126
(1S)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411437
(1R)-4-bromo-1-tert-butyl-2,3-dihydro-1H-indene
CID 129411438
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane?
The IUPAC name of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane (CID 169144923) is 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane.
What is the SMILES notation for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane?
The canonical SMILES for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane is C.CC(C)(C)C1CCc2ccccc21.CC(C)(C)C1Cc2ccccc2C1.
What is the InChIKey of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane?
The InChIKey is NDYWPZUDYZLUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18.CH4/c1-13(2,3)12-8-10-6-4-5-7-11(10)9-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)12;/h2*4-7,12H,8-9H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane?
1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane has a molecular weight of 364.62 g/mol, XLogP of 7.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;methane is sourced from PubChem (CID 169144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).