6-prop-2-enyl-3,4-dihydro-2H-pyran

C8H12O — CID 86254392

IUPAC6-prop-2-enyl-3,4-dihydro-2H-pyran
SMILESC=CCC1=CCCCO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,6H,1,3-5,7H2
InChIKeyIGCKZSQSYGIKMY-UHFFFAOYSA-N
MW124.18 g/mol
LogP2.26
Rot. Bonds2

About 6-prop-2-enyl-3,4-dihydro-2H-pyran

6-prop-2-enyl-3,4-dihydro-2H-pyran (PubChem CID 86254392) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 6-prop-2-enyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-prop-2-enyl-3,4-dihydro-2H-pyran
PubChem CID86254392
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name6-prop-2-enyl-3,4-dihydro-2H-pyran
SMILESC=CCC1=CCCCO1
InChIInChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,6H,1,3-5,7H2
InChIKeyIGCKZSQSYGIKMY-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 52.26
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-prop-2-enyl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-prop-2-enyl-3,4-dihydro-2H-pyran (CID 86254392) is 6-prop-2-enyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-prop-2-enyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-prop-2-enyl-3,4-dihydro-2H-pyran is C=CCC1=CCCCO1.
What is the InChIKey of 6-prop-2-enyl-3,4-dihydro-2H-pyran?
The InChIKey is IGCKZSQSYGIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c1-2-5-8-6-3-4-7-9-8/h2,6H,1,3-5,7H2.
What are the key properties of 6-prop-2-enyl-3,4-dihydro-2H-pyran?
6-prop-2-enyl-3,4-dihydro-2H-pyran has a molecular weight of 124.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 86254392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).