2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran

C9H14O — CID 19778717

IUPAC2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran
SMILESCC/C=C/C1CCC=CO1
InChIInChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h3,5-6,8-9H,2,4,7H2,1H3/b6-3+
InChIKeyAJFFEOOIMHCCTP-ZZXKWVIFSA-N
MW138.21 g/mol
LogP2.65
Rot. Bonds2

About 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran

2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran (PubChem CID 19778717) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran
PubChem CID19778717
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran
SMILESCC/C=C/C1CCC=CO1
InChIInChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h3,5-6,8-9H,2,4,7H2,1H3/b6-3+
InChIKeyAJFFEOOIMHCCTP-ZZXKWVIFSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.65
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-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran (CID 19778717) is 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran is CC/C=C/C1CCC=CO1.
What is the InChIKey of 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran?
The InChIKey is AJFFEOOIMHCCTP-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H14O/c1-2-3-6-9-7-4-5-8-10-9/h3,5-6,8-9H,2,4,7H2,1H3/b6-3+.
What are the key properties of 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran?
2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran has a molecular weight of 138.21 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 19778717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).