1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene

C17H26 — CID 162694173

IUPAC1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
SMILESCC(C)(C)c1cccc2c1CCCCC2(C)C
InChIInChI=1S/C17H26/c1-16(2,3)14-10-8-11-15-13(14)9-6-7-12-17(15,4)5/h8,10-11H,6-7,9,12H2,1-5H3
InChIKeyIRLQVCIPGJDOPF-UHFFFAOYSA-N
MW230.39 g/mol
LogP4.99
Rot. Bonds

About 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene

1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene (PubChem CID 162694173) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene.

Molecular Properties

Compound Name1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
PubChem CID162694173
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
SMILESCC(C)(C)c1cccc2c1CCCCC2(C)C
InChIInChI=1S/C17H26/c1-16(2,3)14-10-8-11-15-13(14)9-6-7-12-17(15,4)5/h8,10-11H,6-7,9,12H2,1-5H3
InChIKeyIRLQVCIPGJDOPF-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-5-(trifluoromethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115037065
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
CID 176926906
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene
CID 142235418
4-tert-butyl-7-ethyl-2,3-dihydro-1H-indene;ethane
CID 142235417
2-tert-butyl-7-(4-tert-butyl-5,6,7,8-tetrahydronaphthalen-1-yl)-9,9-dimethylfluorene
CID 143426439
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
1,1-dimethyl-3,4-dihydro-2H-chrysene
CID 174256276
4,7-ditert-butyl-1'-methylspiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 118314321
1,1-dimethyl-2,3-dihydroindene-4-carboxylic acid
CID 600258
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene?
The IUPAC name of 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene (CID 162694173) is 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene.
What is the SMILES notation for 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene?
The canonical SMILES for 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene is CC(C)(C)c1cccc2c1CCCCC2(C)C.
What is the InChIKey of 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene?
The InChIKey is IRLQVCIPGJDOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-16(2,3)14-10-8-11-15-13(14)9-6-7-12-17(15,4)5/h8,10-11H,6-7,9,12H2,1-5H3.
What are the key properties of 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene?
1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene has a molecular weight of 230.39 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene is sourced from PubChem (CID 162694173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).