5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran

C14H26O — CID 23402626

IUPAC5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCC1COC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H26O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyXNPNJSDTHQDGRN-UHFFFAOYSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds

About 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran

5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran (PubChem CID 23402626) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran
PubChem CID23402626
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran
SMILESCC1COC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C14H26O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h10H,8-9H2,1-7H3
InChIKeyXNPNJSDTHQDGRN-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran (CID 23402626) is 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran is CC1COC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran?
The InChIKey is XNPNJSDTHQDGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O/c1-10-8-11(13(2,3)4)12(15-9-10)14(5,6)7/h10H,8-9H2,1-7H3.
What are the key properties of 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran?
5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran has a molecular weight of 210.36 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3-methyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 23402626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).