cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone

C19H26O2 — CID 107293291

IUPACcyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
SMILESCC1(C)COc2ccc(C(=O)C3CCCCCCC3)cc21
InChIInChI=1S/C19H26O2/c1-19(2)13-21-17-11-10-15(12-16(17)19)18(20)14-8-6-4-3-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3
InChIKeyMZBLSGIIURTKRJ-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.90
Rot. Bonds2

About cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone

cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone (PubChem CID 107293291) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Namecyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
PubChem CID107293291
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Namecyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
SMILESCC1(C)COc2ccc(C(=O)C3CCCCCCC3)cc21
InChIInChI=1S/C19H26O2/c1-19(2)13-21-17-11-10-15(12-16(17)19)18(20)14-8-6-4-3-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3
InChIKeyMZBLSGIIURTKRJ-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3,3-dimethyl-2H-1-benzofuran-5-carboxylate
CID 118098434
(7-tert-butyl-3,3-dimethyl-2H-1-benzofuran-5-yl)-cyclopentylmethanone
CID 10494474
methyl 2-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-oxoacetate
CID 107293835
(3-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
CID 107293240
cyclohexyl-[7-(1-hydroxycyclohexanecarbonyl)-9,9-dimethylfluoren-2-yl]methanone
CID 145330747
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)octan-1-one
CID 107293346
cyclobutyl(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 43159932
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-3,4,4-trimethylpentan-1-one
CID 107293352
(3-amino-5-methylphenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
CID 107294587
(5-bromo-2-methylphenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone
CID 107293289
(3,3-dimethyl-2H-1-benzofuran-5-yl)-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 164629598
7-bicyclo[4.1.0]heptanyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanol
CID 107294132

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone?
The IUPAC name of cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone (CID 107293291) is cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone.
What is the SMILES notation for cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone?
The canonical SMILES for cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone is CC1(C)COc2ccc(C(=O)C3CCCCCCC3)cc21.
What is the InChIKey of cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone?
The InChIKey is MZBLSGIIURTKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-19(2)13-21-17-11-10-15(12-16(17)19)18(20)14-8-6-4-3-5-7-9-14/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone?
cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone has a molecular weight of 286.41 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 107293291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).