9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene

C17H22 — CID 162498935

IUPAC9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene
SMILESCC(C)(C)C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C17H22/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4,6,8,10,16H,5,7,9,11H2,1-3H3
InChIKeyLKGLIRHNOGKCCR-UHFFFAOYSA-N
MW226.36 g/mol
LogP5.16
Rot. Bonds

About 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene

9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene (PubChem CID 162498935) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene.

Molecular Properties

Compound Name9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene
PubChem CID162498935
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene
SMILESCC(C)(C)C1C2=C(CCCC2)c2ccccc21
InChIInChI=1S/C17H22/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4,6,8,10,16H,5,7,9,11H2,1-3H3
InChIKeyLKGLIRHNOGKCCR-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyltricyclo[10.4.0.03,8]hexadeca-1(12),3,5,7-tetraene-9,11-dione
CID 162498995
9-tert-butyl-2,3,4,9-tetrahydro-1H-thioxanthene
CID 162498933
11-tert-butyl-1,2,3,4,6,11-hexahydrobenzo[c][1]benzoxepine
CID 162498978
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
1-tert-butyl-2-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 160514098
(9R)-9-iodo-1,2,3,4,9,10-hexahydrophenanthrene
CID 89169979
8-tert-butyltetracyclo[13.1.1.02,7.09,14]heptadeca-2,4,6,9,11,13-hexaene
CID 155609294
9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
CID 23282038
1-tert-butyl-2-[(1-tert-butyl-1H-inden-2-yl)methyl]-1H-indene
CID 54456001
2-tert-butylindene-1,3-dione
CID 10081566
11-tert-butyl-6,11-dihydrobenzo[c][1]benzothiepine;ethane
CID 165013159
methyl 3,4-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),4,7(11),12,14-pentaene-5-carboxylate
CID 10492115

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene?
The IUPAC name of 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene (CID 162498935) is 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene.
What is the SMILES notation for 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene?
The canonical SMILES for 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene is CC(C)(C)C1C2=C(CCCC2)c2ccccc21.
What is the InChIKey of 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene?
The InChIKey is LKGLIRHNOGKCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16/h4,6,8,10,16H,5,7,9,11H2,1-3H3.
What are the key properties of 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene?
9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene has a molecular weight of 226.36 g/mol, XLogP of 5.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-2,3,4,9-tetrahydro-1H-fluorene is sourced from PubChem (CID 162498935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).