5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran

C9H16O — CID 102211323

IUPAC5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran
SMILES[2H]C1=C(C([2H])([2H])CCC)OCCC1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h7H,2-6,8H2,1H3/i6D2,7D
InChIKeyJYYFQSTVSLWYGT-TXXOLCOUSA-N
MW143.24 g/mol
LogP2.87
Rot. Bonds3

About 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran

5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran (PubChem CID 102211323) has the molecular formula C9H16O and a molecular weight of 143.24 g/mol. Its IUPAC name is 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran
PubChem CID102211323
Molecular FormulaC9H16O
Molecular Weight143.24 g/mol
Exact Mass143.14
IUPAC Name5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran
SMILES[2H]C1=C(C([2H])([2H])CCC)OCCC1
InChIInChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h7H,2-6,8H2,1H3/i6D2,7D
InChIKeyJYYFQSTVSLWYGT-TXXOLCOUSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran (CID 102211323) is 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran is [2H]C1=C(C([2H])([2H])CCC)OCCC1.
What is the InChIKey of 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran?
The InChIKey is JYYFQSTVSLWYGT-TXXOLCOUSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-6-9-7-4-5-8-10-9/h7H,2-6,8H2,1H3/i6D2,7D.
What are the key properties of 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran?
5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran has a molecular weight of 143.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-6-(1,1-dideuteriobutyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 102211323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).