6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene

C16H24O — CID 168743383

IUPAC6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)C1CCc2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C16H24O/c1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14/h7,9-11,14H,6,8H2,1-5H3
InChIKeyHWPKUPNDOSFNTK-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.33
Rot. Bonds1

About 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene

6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene (PubChem CID 168743383) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene
PubChem CID168743383
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene
SMILESCC(C)C1CCc2cc(C(C)(C)C)ccc2O1
InChIInChI=1S/C16H24O/c1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14/h7,9-11,14H,6,8H2,1-5H3
InChIKeyHWPKUPNDOSFNTK-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene (CID 168743383) is 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene is CC(C)C1CCc2cc(C(C)(C)C)ccc2O1.
What is the InChIKey of 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene?
The InChIKey is HWPKUPNDOSFNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-11(2)14-8-6-12-10-13(16(3,4)5)7-9-15(12)17-14/h7,9-11,14H,6,8H2,1-5H3.
What are the key properties of 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene?
6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene has a molecular weight of 232.37 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-propan-2-yl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 168743383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).