6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran

C18H24O2 — CID 10849818

IUPAC6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran
SMILESC=CCOC(C)(CCc1ccccc1)C1=CCCCO1
InChIInChI=1S/C18H24O2/c1-3-14-20-18(2,17-11-7-8-15-19-17)13-12-16-9-5-4-6-10-16/h3-6,9-11H,1,7-8,12-15H2,2H3
InChIKeyAARVKJYAXNPTCH-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.27
Rot. Bonds7

About 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran

6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 10849818) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran
PubChem CID10849818
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran
SMILESC=CCOC(C)(CCc1ccccc1)C1=CCCCO1
InChIInChI=1S/C18H24O2/c1-3-14-20-18(2,17-11-7-8-15-19-17)13-12-16-9-5-4-6-10-16/h3-6,9-11H,1,7-8,12-15H2,2H3
InChIKeyAARVKJYAXNPTCH-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran (CID 10849818) is 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran is C=CCOC(C)(CCc1ccccc1)C1=CCCCO1.
What is the InChIKey of 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is AARVKJYAXNPTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-14-20-18(2,17-11-7-8-15-19-17)13-12-16-9-5-4-6-10-16/h3-6,9-11H,1,7-8,12-15H2,2H3.
What are the key properties of 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran?
6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 272.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenyl-2-prop-2-enoxybutan-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10849818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).