2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran

C15H28O — CID 59205490

IUPAC2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=CC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C15H28O/c1-13(2,3)11-9-10-15(7,8)16-12(11)14(4,5)6/h9-12H,1-8H3
InChIKeyFCTPCOCXNDUAEV-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.43
Rot. Bonds

About 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran

2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran (PubChem CID 59205490) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran
PubChem CID59205490
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran
SMILESCC1(C)C=CC(C(C)(C)C)C(C(C)(C)C)O1
InChIInChI=1S/C15H28O/c1-13(2,3)11-9-10-15(7,8)16-12(11)14(4,5)6/h9-12H,1-8H3
InChIKeyFCTPCOCXNDUAEV-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran?
The IUPAC name of 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran (CID 59205490) is 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran?
The canonical SMILES for 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran is CC1(C)C=CC(C(C)(C)C)C(C(C)(C)C)O1.
What is the InChIKey of 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran?
The InChIKey is FCTPCOCXNDUAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-13(2,3)11-9-10-15(7,8)16-12(11)14(4,5)6/h9-12H,1-8H3.
What are the key properties of 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran?
2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran has a molecular weight of 224.39 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6,6-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 59205490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).