ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran

C17H28O — CID 158202608

IUPACethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC.CCCC(C)(C)c1cc2c(cc1C)OCC2
InChIInChI=1S/C15H22O.C2H6/c1-5-7-15(3,4)13-10-12-6-8-16-14(12)9-11(13)2;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyGBCSPSLLGYORJJ-UHFFFAOYSA-N
MW248.41 g/mol
LogP5.03
Rot. Bonds3

About ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran

ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran (PubChem CID 158202608) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran
PubChem CID158202608
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Nameethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran
SMILESCC.CCCC(C)(C)c1cc2c(cc1C)OCC2
InChIInChI=1S/C15H22O.C2H6/c1-5-7-15(3,4)13-10-12-6-8-16-14(12)9-11(13)2;1-2/h9-10H,5-8H2,1-4H3;1-2H3
InChIKeyGBCSPSLLGYORJJ-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574
ethane;5-methyl-2,3-dihydro-1-benzofuran-6-amine
CID 145375645
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
5-methyl-6-phenyl-2,3-dihydro-1-benzofuran
CID 12878338
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylbutan-1-amine
CID 104542228
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-3-methylbutan-1-amine
CID 79830115
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-amine
CID 105426380

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The IUPAC name of ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran (CID 158202608) is ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran is CC.CCCC(C)(C)c1cc2c(cc1C)OCC2.
What is the InChIKey of ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran?
The InChIKey is GBCSPSLLGYORJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O.C2H6/c1-5-7-15(3,4)13-10-12-6-8-16-14(12)9-11(13)2;1-2/h9-10H,5-8H2,1-4H3;1-2H3.
What are the key properties of ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran?
ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran has a molecular weight of 248.41 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5-(2-methylpentan-2-yl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158202608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).