buta-2,3-dienoxymethylbenzene

C11H12O — CID 15393691

IUPACbuta-2,3-dienoxymethylbenzene
SMILESC=C=CCOCc1ccccc1
InChIInChI=1S/C11H12O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2
InChIKeyAXIZTERPSTUQJX-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.54
Rot. Bonds4

About buta-2,3-dienoxymethylbenzene

buta-2,3-dienoxymethylbenzene (PubChem CID 15393691) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is buta-2,3-dienoxymethylbenzene.

Molecular Properties

Compound Namebuta-2,3-dienoxymethylbenzene
PubChem CID15393691
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Namebuta-2,3-dienoxymethylbenzene
SMILESC=C=CCOCc1ccccc1
InChIInChI=1S/C11H12O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2
InChIKeyAXIZTERPSTUQJX-UHFFFAOYSA-N
XLogP2.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

penta-2,3-dienoxymethylbenzene
CID 135084296
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
CID 66734377
CID 66734377
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
2-buta-2,3-dienoxy-1-phenylethanone
CID 86015385
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
ethane;phenylmethoxymethylbenzene
CID 90943549
4-phenylmethoxybut-2-enal
CID 56616610
5-phenylmethoxypent-3-enal
CID 54324259
[(E)-5-phenylmethoxypent-2-enoxy]methylbenzene
CID 10333986

Frequently Asked Questions

What is the IUPAC name of buta-2,3-dienoxymethylbenzene?
The IUPAC name of buta-2,3-dienoxymethylbenzene (CID 15393691) is buta-2,3-dienoxymethylbenzene.
What is the SMILES notation for buta-2,3-dienoxymethylbenzene?
The canonical SMILES for buta-2,3-dienoxymethylbenzene is C=C=CCOCc1ccccc1.
What is the InChIKey of buta-2,3-dienoxymethylbenzene?
The InChIKey is AXIZTERPSTUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-3-9-12-10-11-7-5-4-6-8-11/h3-8H,1,9-10H2.
What are the key properties of buta-2,3-dienoxymethylbenzene?
buta-2,3-dienoxymethylbenzene has a molecular weight of 160.22 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for buta-2,3-dienoxymethylbenzene is sourced from PubChem (CID 15393691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).