6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene

C20H28O — CID 59692119

IUPAC6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene
SMILESCC(C)(C)C1CCOc2ccc(C3C4CCC3CC4)cc21
InChIInChI=1S/C20H28O/c1-20(2,3)17-10-11-21-18-9-8-15(12-16(17)18)19-13-4-5-14(19)7-6-13/h8-9,12-14,17,19H,4-7,10-11H2,1-3H3
InChIKeyUBVOYHDMWWWLBP-UHFFFAOYSA-N
MW284.44 g/mol
LogP5.50
Rot. Bonds1

About 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene

6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene (PubChem CID 59692119) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene
PubChem CID59692119
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene
SMILESCC(C)(C)C1CCOc2ccc(C3C4CCC3CC4)cc21
InChIInChI=1S/C20H28O/c1-20(2,3)17-10-11-21-18-9-8-15(12-16(17)18)19-13-4-5-14(19)7-6-13/h8-9,12-14,17,19H,4-7,10-11H2,1-3H3
InChIKeyUBVOYHDMWWWLBP-UHFFFAOYSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene (CID 59692119) is 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene is CC(C)(C)C1CCOc2ccc(C3C4CCC3CC4)cc21.
What is the InChIKey of 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene?
The InChIKey is UBVOYHDMWWWLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-20(2,3)17-10-11-21-18-9-8-15(12-16(17)18)19-13-4-5-14(19)7-6-13/h8-9,12-14,17,19H,4-7,10-11H2,1-3H3.
What are the key properties of 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene?
6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene has a molecular weight of 284.44 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-bicyclo[2.2.1]heptanyl)-4-tert-butyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59692119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).