3,3-dimethoxyprop-1-enylbenzene

C11H14O2 — CID 20378

IUPAC3,3-dimethoxyprop-1-enylbenzene
SMILESCOC(C=Cc1ccccc1)OC
InChIInChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyMBAOABFNWSOOLU-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.32
Rot. Bonds4

About 3,3-dimethoxyprop-1-enylbenzene

3,3-dimethoxyprop-1-enylbenzene (PubChem CID 20378) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3,3-dimethoxyprop-1-enylbenzene.

Molecular Properties

Compound Name3,3-dimethoxyprop-1-enylbenzene
PubChem CID20378
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3,3-dimethoxyprop-1-enylbenzene
SMILESCOC(C=Cc1ccccc1)OC
InChIInChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3
InChIKeyMBAOABFNWSOOLU-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxyprop-1-enylbenzene?
The IUPAC name of 3,3-dimethoxyprop-1-enylbenzene (CID 20378) is 3,3-dimethoxyprop-1-enylbenzene.
What is the SMILES notation for 3,3-dimethoxyprop-1-enylbenzene?
The canonical SMILES for 3,3-dimethoxyprop-1-enylbenzene is COC(C=Cc1ccccc1)OC.
What is the InChIKey of 3,3-dimethoxyprop-1-enylbenzene?
The InChIKey is MBAOABFNWSOOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-12-11(13-2)9-8-10-6-4-3-5-7-10/h3-9,11H,1-2H3.
What are the key properties of 3,3-dimethoxyprop-1-enylbenzene?
3,3-dimethoxyprop-1-enylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxyprop-1-enylbenzene is sourced from PubChem (CID 20378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).