3-penta-2,4-dienoxyprop-2-enylbenzene

C14H16O — CID 175315094

IUPAC3-penta-2,4-dienoxyprop-2-enylbenzene
SMILESC=CC=CCOC=CCc1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2-10,13H,1,11-12H2
InChIKeyLRXMXDORIGETTE-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.50
Rot. Bonds6

About 3-penta-2,4-dienoxyprop-2-enylbenzene

3-penta-2,4-dienoxyprop-2-enylbenzene (PubChem CID 175315094) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-penta-2,4-dienoxyprop-2-enylbenzene.

Molecular Properties

Compound Name3-penta-2,4-dienoxyprop-2-enylbenzene
PubChem CID175315094
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name3-penta-2,4-dienoxyprop-2-enylbenzene
SMILESC=CC=CCOC=CCc1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2-10,13H,1,11-12H2
InChIKeyLRXMXDORIGETTE-UHFFFAOYSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-penta-2,4-dienoxyprop-2-enylbenzene?
The IUPAC name of 3-penta-2,4-dienoxyprop-2-enylbenzene (CID 175315094) is 3-penta-2,4-dienoxyprop-2-enylbenzene.
What is the SMILES notation for 3-penta-2,4-dienoxyprop-2-enylbenzene?
The canonical SMILES for 3-penta-2,4-dienoxyprop-2-enylbenzene is C=CC=CCOC=CCc1ccccc1.
What is the InChIKey of 3-penta-2,4-dienoxyprop-2-enylbenzene?
The InChIKey is LRXMXDORIGETTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h2-10,13H,1,11-12H2.
What are the key properties of 3-penta-2,4-dienoxyprop-2-enylbenzene?
3-penta-2,4-dienoxyprop-2-enylbenzene has a molecular weight of 200.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-penta-2,4-dienoxyprop-2-enylbenzene is sourced from PubChem (CID 175315094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).