5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene

C15H22 — CID 125494585

IUPAC5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
SMILESCC1(C)CCCC(C)(C)c2ccccc21
InChIInChI=1S/C15H22/c1-14(2)10-7-11-15(3,4)13-9-6-5-8-12(13)14/h5-6,8-9H,7,10-11H2,1-4H3
InChIKeyOCZYFBURSCIPCQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.43
Rot. Bonds

About 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene

5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene (PubChem CID 125494585) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene.

Molecular Properties

Compound Name5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
PubChem CID125494585
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
SMILESCC1(C)CCCC(C)(C)c2ccccc21
InChIInChI=1S/C15H22/c1-14(2)10-7-11-15(3,4)13-9-6-5-8-12(13)14/h5-6,8-9H,7,10-11H2,1-4H3
InChIKeyOCZYFBURSCIPCQ-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]
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1,3,3-trimethyl-2H-inden-1-ol
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4,4-dimethyl-2,3-dihydrothiochromene 1-oxide
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5,5-dimethylspiro[3,4-dihydro-1H-1-benzazepine-2,1'-cyclohexane]
CID 134969399
1-ethyl-2-(1-methylcyclohexyl)benzene
CID 71388043
1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
CID 162694173
1-ethyl-2-(1-methylcyclopropyl)benzene
CID 159457971
(2R)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
CID 177097652
1,1,2',2'-tetramethylspiro[2,3-dihydronaphthalene-4,3'-cyclopropane]-1'-carboxylic acid
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1-acetamido-4,4-dimethyl-2,3-dihydronaphthalene-1-carboxylic acid
CID 55232986

Frequently Asked Questions

What is the IUPAC name of 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene?
The IUPAC name of 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene (CID 125494585) is 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene.
What is the SMILES notation for 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene?
The canonical SMILES for 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene is CC1(C)CCCC(C)(C)c2ccccc21.
What is the InChIKey of 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene?
The InChIKey is OCZYFBURSCIPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-14(2)10-7-11-15(3,4)13-9-6-5-8-12(13)14/h5-6,8-9H,7,10-11H2,1-4H3.
What are the key properties of 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene?
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene has a molecular weight of 202.34 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene is sourced from PubChem (CID 125494585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).