1-(1,1-dimethoxyethyl)-4-ethenylbenzene

C12H16O2 — CID 174389278

IUPAC1-(1,1-dimethoxyethyl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(OC)OC)cc1
InChIInChI=1S/C12H16O2/c1-5-10-6-8-11(9-7-10)12(2,13-3)14-4/h5-9H,1H2,2-4H3
InChIKeyFZYZMGLWBVERNA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.80
Rot. Bonds4

About 1-(1,1-dimethoxyethyl)-4-ethenylbenzene

1-(1,1-dimethoxyethyl)-4-ethenylbenzene (PubChem CID 174389278) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1,1-dimethoxyethyl)-4-ethenylbenzene.

Molecular Properties

Compound Name1-(1,1-dimethoxyethyl)-4-ethenylbenzene
PubChem CID174389278
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(1,1-dimethoxyethyl)-4-ethenylbenzene
SMILESC=Cc1ccc(C(C)(OC)OC)cc1
InChIInChI=1S/C12H16O2/c1-5-10-6-8-11(9-7-10)12(2,13-3)14-4/h5-9H,1H2,2-4H3
InChIKeyFZYZMGLWBVERNA-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.80
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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Related Compounds

1-tert-butyl-4-ethenylbenzene
CID 15627
1-(1,1-difluoroethyl)-4-ethenylbenzene
CID 59554717
1-(2-chloropropan-2-yl)-4-ethenylbenzene
CID 19761581
2-(4-ethenylphenyl)propan-2-amine;hydrochloride
CID 173390988
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
1-(3,4-dimethylpent-1-en-3-yl)-4-ethenylbenzene
CID 144582721
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 158836973
1-ethenyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 577531
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
1-ethenyl-4-methylperoxybenzene
CID 21053359
1-ethenyl-4-(1,1,2,2,2-pentafluoroethyl)benzene
CID 18928984
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxyethyl)-4-ethenylbenzene?
The IUPAC name of 1-(1,1-dimethoxyethyl)-4-ethenylbenzene (CID 174389278) is 1-(1,1-dimethoxyethyl)-4-ethenylbenzene.
What is the SMILES notation for 1-(1,1-dimethoxyethyl)-4-ethenylbenzene?
The canonical SMILES for 1-(1,1-dimethoxyethyl)-4-ethenylbenzene is C=Cc1ccc(C(C)(OC)OC)cc1.
What is the InChIKey of 1-(1,1-dimethoxyethyl)-4-ethenylbenzene?
The InChIKey is FZYZMGLWBVERNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-10-6-8-11(9-7-10)12(2,13-3)14-4/h5-9H,1H2,2-4H3.
What are the key properties of 1-(1,1-dimethoxyethyl)-4-ethenylbenzene?
1-(1,1-dimethoxyethyl)-4-ethenylbenzene has a molecular weight of 192.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxyethyl)-4-ethenylbenzene is sourced from PubChem (CID 174389278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).