6-tert-butyl-3,4-dihydro-2H-pyran

C9H16O — CID 22986723

IUPAC6-tert-butyl-3,4-dihydro-2H-pyran
SMILESCC(C)(C)C1=CCCCO1
InChIInChI=1S/C9H16O/c1-9(2,3)8-6-4-5-7-10-8/h6H,4-5,7H2,1-3H3
InChIKeyOIIJKKPKNBRWHU-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds

About 6-tert-butyl-3,4-dihydro-2H-pyran

6-tert-butyl-3,4-dihydro-2H-pyran (PubChem CID 22986723) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 6-tert-butyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-tert-butyl-3,4-dihydro-2H-pyran
PubChem CID22986723
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name6-tert-butyl-3,4-dihydro-2H-pyran
SMILESCC(C)(C)C1=CCCCO1
InChIInChI=1S/C9H16O/c1-9(2,3)8-6-4-5-7-10-8/h6H,4-5,7H2,1-3H3
InChIKeyOIIJKKPKNBRWHU-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-tert-butyl-3,4-dihydro-2H-pyran (CID 22986723) is 6-tert-butyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-tert-butyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-tert-butyl-3,4-dihydro-2H-pyran is CC(C)(C)C1=CCCCO1.
What is the InChIKey of 6-tert-butyl-3,4-dihydro-2H-pyran?
The InChIKey is OIIJKKPKNBRWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,3)8-6-4-5-7-10-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 6-tert-butyl-3,4-dihydro-2H-pyran?
6-tert-butyl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 22986723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).