6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

C20H32 — CID 167617330

IUPAC6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCC(C)(C)C1c2ccccc2CCCC1C(C)(C)C
InChIInChI=1S/C20H32/c1-7-20(5,6)18-16-13-9-8-11-15(16)12-10-14-17(18)19(2,3)4/h8-9,11,13,17-18H,7,10,12,14H2,1-6H3
InChIKeyPABWBGBRHFPBBT-UHFFFAOYSA-N
MW272.48 g/mol
LogP6.20
Rot. Bonds2

About 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene

6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (PubChem CID 167617330) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.

Molecular Properties

Compound Name6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
PubChem CID167617330
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
SMILESCCC(C)(C)C1c2ccccc2CCCC1C(C)(C)C
InChIInChI=1S/C20H32/c1-7-20(5,6)18-16-13-9-8-11-15(16)12-10-14-17(18)19(2,3)4/h8-9,11,13,17-18H,7,10,12,14H2,1-6H3
InChIKeyPABWBGBRHFPBBT-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene with MolForge

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Related Compounds

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CID 163881184
3-N,3-N-diethyl-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-2,3-diamine
CID 79046794
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
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1-(2-ethylphenyl)-1,2,3,4-tetrahydronaphthalene
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CID 162415451
ethane;[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 144973609
5-N-ethyl-6-N-methyl-6-N-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63983993
2-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The IUPAC name of 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene (CID 167617330) is 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene.
What is the SMILES notation for 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The canonical SMILES for 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is CCC(C)(C)C1c2ccccc2CCCC1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
The InChIKey is PABWBGBRHFPBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-7-20(5,6)18-16-13-9-8-11-15(16)12-10-14-17(18)19(2,3)4/h8-9,11,13,17-18H,7,10,12,14H2,1-6H3.
What are the key properties of 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene?
6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene has a molecular weight of 272.48 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene is sourced from PubChem (CID 167617330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).