2-methylidenebut-3-enoxymethylbenzene

C12H14O — CID 11275317

IUPAC2-methylidenebut-3-enoxymethylbenzene
SMILESC=CC(=C)COCc1ccccc1
InChIInChI=1S/C12H14O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyKAFNBGFBUABKIC-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.95
Rot. Bonds5

About 2-methylidenebut-3-enoxymethylbenzene

2-methylidenebut-3-enoxymethylbenzene (PubChem CID 11275317) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-methylidenebut-3-enoxymethylbenzene.

Molecular Properties

Compound Name2-methylidenebut-3-enoxymethylbenzene
PubChem CID11275317
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name2-methylidenebut-3-enoxymethylbenzene
SMILESC=CC(=C)COCc1ccccc1
InChIInChI=1S/C12H14O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2
InChIKeyKAFNBGFBUABKIC-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
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CID 90943549
[(2E)-2,7-dimethylocta-2,7-dienoxy]methylbenzene
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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebut-3-enoxymethylbenzene?
The IUPAC name of 2-methylidenebut-3-enoxymethylbenzene (CID 11275317) is 2-methylidenebut-3-enoxymethylbenzene.
What is the SMILES notation for 2-methylidenebut-3-enoxymethylbenzene?
The canonical SMILES for 2-methylidenebut-3-enoxymethylbenzene is C=CC(=C)COCc1ccccc1.
What is the InChIKey of 2-methylidenebut-3-enoxymethylbenzene?
The InChIKey is KAFNBGFBUABKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h3-8H,1-2,9-10H2.
What are the key properties of 2-methylidenebut-3-enoxymethylbenzene?
2-methylidenebut-3-enoxymethylbenzene has a molecular weight of 174.24 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebut-3-enoxymethylbenzene is sourced from PubChem (CID 11275317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).