6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran

C10H16O — CID 135080612

IUPAC6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
SMILESC/C=C(\C)C1OCCC=C1C
InChIInChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+
InChIKeyHIARIZBKBAXSPH-XBXARRHUSA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds1

About 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran

6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran (PubChem CID 135080612) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
PubChem CID135080612
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran
SMILESC/C=C(\C)C1OCCC=C1C
InChIInChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+
InChIKeyHIARIZBKBAXSPH-XBXARRHUSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
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 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The IUPAC name of 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran (CID 135080612) is 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran is C/C=C(\C)C1OCCC=C1C.
What is the InChIKey of 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
The InChIKey is HIARIZBKBAXSPH-XBXARRHUSA-N. The full InChI is InChI=1S/C10H16O/c1-4-8(2)10-9(3)6-5-7-11-10/h4,6,10H,5,7H2,1-3H3/b8-4+.
What are the key properties of 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran?
6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran has a molecular weight of 152.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-but-2-en-2-yl]-5-methyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 135080612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).