1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone

C17H24O — CID 54331096

IUPAC1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone
SMILESCC(=O)C1Cc2ccc(C(C)(C)C)cc2C1(C)C
InChIInChI=1S/C17H24O/c1-11(18)14-9-12-7-8-13(16(2,3)4)10-15(12)17(14,5)6/h7-8,10,14H,9H2,1-6H3
InChIKeySYKBHWGDCXUTIY-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.02
Rot. Bonds1

About 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone

1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone (PubChem CID 54331096) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone
PubChem CID54331096
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone
SMILESCC(=O)C1Cc2ccc(C(C)(C)C)cc2C1(C)C
InChIInChI=1S/C17H24O/c1-11(18)14-9-12-7-8-13(16(2,3)4)10-15(12)17(14,5)6/h7-8,10,14H,9H2,1-6H3
InChIKeySYKBHWGDCXUTIY-UHFFFAOYSA-N
XLogP4.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-5-tert-butylphenyl)-2-methylcyclopropane-1-carboxylic acid
CID 106702424
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
1-(5-tert-butyl-2-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 82296346
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dihydro-1H-indol-2-ol
CID 146620775
2-(7-tert-butyl-1,2,3,4-tetrahydronaphthalen-2-yl)acetic acid
CID 82384252
5-tert-butyl-2,3,3-trimethyl-1H-inden-2-ide;uranium(2+)
CID 21055230
7-tert-butyl-3-methyl-2,4-dihydrochromene-3-carboxylic acid
CID 171407881
1-(2-amino-5-tert-butylphenyl)ethanone
CID 83988010
1-(6-tert-butylnaphthalen-2-yl)ethanone
CID 59199741
2-[1-(5-tert-butyl-2-methoxyphenyl)cyclopropyl]acetic acid
CID 117410634
6-tert-butyl-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 176701262

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone?
The IUPAC name of 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone (CID 54331096) is 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone?
The canonical SMILES for 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone is CC(=O)C1Cc2ccc(C(C)(C)C)cc2C1(C)C.
What is the InChIKey of 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone?
The InChIKey is SYKBHWGDCXUTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-11(18)14-9-12-7-8-13(16(2,3)4)10-15(12)17(14,5)6/h7-8,10,14H,9H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone?
1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone has a molecular weight of 244.38 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-3,3-dimethyl-1,2-dihydroinden-2-yl)ethanone is sourced from PubChem (CID 54331096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).