(1-ethenoxy-1-ethoxybut-3-enyl)benzene

C14H18O2 — CID 175202347

IUPAC(1-ethenoxy-1-ethoxybut-3-enyl)benzene
SMILESC=CCC(OC=C)(OCC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-12-14(15-5-2,16-6-3)13-10-8-7-9-11-13/h4-5,7-11H,1-2,6,12H2,3H3
InChIKeyAGSHZGFZLBURTA-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.61
Rot. Bonds7

About (1-ethenoxy-1-ethoxybut-3-enyl)benzene

(1-ethenoxy-1-ethoxybut-3-enyl)benzene (PubChem CID 175202347) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (1-ethenoxy-1-ethoxybut-3-enyl)benzene.

Molecular Properties

Compound Name(1-ethenoxy-1-ethoxybut-3-enyl)benzene
PubChem CID175202347
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(1-ethenoxy-1-ethoxybut-3-enyl)benzene
SMILESC=CCC(OC=C)(OCC)c1ccccc1
InChIInChI=1S/C14H18O2/c1-4-12-14(15-5-2,16-6-3)13-10-8-7-9-11-13/h4-5,7-11H,1-2,6,12H2,3H3
InChIKeyAGSHZGFZLBURTA-UHFFFAOYSA-N
XLogP3.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-ethenoxy-1-ethoxybut-3-enyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966368
[(2S)-2-prop-2-enoxypent-4-en-2-yl]benzene
CID 100966369
2-(diethoxymethyl)-2-phenylpent-4-enenitrile
CID 70433023
1,4-bis(1-ethenoxy-1-phenylethyl)benzene
CID 22935837
4-propylhept-1-en-4-ylbenzene
CID 123221616
(1-methoxy-1-phenylbut-3-enyl)benzene;hydrate
CID 67237772
1-phenylbut-3-ene-1,1-diol
CID 134892936
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712
4-(1,1-diphenylbut-3-enyl)-1,2-dimethylbenzene
CID 71583153
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
(2R)-2-phenyl-2-prop-2-enoxypent-4-en-1-ol
CID 101079972
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935

Frequently Asked Questions

What is the IUPAC name of (1-ethenoxy-1-ethoxybut-3-enyl)benzene?
The IUPAC name of (1-ethenoxy-1-ethoxybut-3-enyl)benzene (CID 175202347) is (1-ethenoxy-1-ethoxybut-3-enyl)benzene.
What is the SMILES notation for (1-ethenoxy-1-ethoxybut-3-enyl)benzene?
The canonical SMILES for (1-ethenoxy-1-ethoxybut-3-enyl)benzene is C=CCC(OC=C)(OCC)c1ccccc1.
What is the InChIKey of (1-ethenoxy-1-ethoxybut-3-enyl)benzene?
The InChIKey is AGSHZGFZLBURTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-12-14(15-5-2,16-6-3)13-10-8-7-9-11-13/h4-5,7-11H,1-2,6,12H2,3H3.
What are the key properties of (1-ethenoxy-1-ethoxybut-3-enyl)benzene?
(1-ethenoxy-1-ethoxybut-3-enyl)benzene has a molecular weight of 218.30 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenoxy-1-ethoxybut-3-enyl)benzene is sourced from PubChem (CID 175202347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).