2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran

C15H22O2 — CID 123729067

IUPAC2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran
SMILESC=CC1CCC(COC(C=CC)=CCC)=CO1
InChIInChI=1S/C15H22O2/c1-4-7-15(8-5-2)17-12-13-9-10-14(6-3)16-11-13/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3
InChIKeyPUBUDHYQEBXHNY-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.12
Rot. Bonds6

About 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran

2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran (PubChem CID 123729067) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran
PubChem CID123729067
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran
SMILESC=CC1CCC(COC(C=CC)=CCC)=CO1
InChIInChI=1S/C15H22O2/c1-4-7-15(8-5-2)17-12-13-9-10-14(6-3)16-11-13/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3
InChIKeyPUBUDHYQEBXHNY-UHFFFAOYSA-N
XLogP4.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran (CID 123729067) is 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran is C=CC1CCC(COC(C=CC)=CCC)=CO1.
What is the InChIKey of 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran?
The InChIKey is PUBUDHYQEBXHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-4-7-15(8-5-2)17-12-13-9-10-14(6-3)16-11-13/h4,6-8,11,14H,3,5,9-10,12H2,1-2H3.
What are the key properties of 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran?
2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran has a molecular weight of 234.34 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(hepta-2,4-dien-4-yloxymethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 123729067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).