[(E)-2-prop-2-enoxyprop-1-enyl]benzene

C12H14O — CID 67861596

IUPAC[(E)-2-prop-2-enoxyprop-1-enyl]benzene
SMILESC=CCO/C(C)=C/c1ccccc1
InChIInChI=1S/C12H14O/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3/b11-10+
InChIKeyNEXODDDZCXDYJN-ZHACJKMWSA-N
MW174.24 g/mol
LogP3.25
Rot. Bonds4

About [(E)-2-prop-2-enoxyprop-1-enyl]benzene

[(E)-2-prop-2-enoxyprop-1-enyl]benzene (PubChem CID 67861596) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is [(E)-2-prop-2-enoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-prop-2-enoxyprop-1-enyl]benzene
PubChem CID67861596
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name[(E)-2-prop-2-enoxyprop-1-enyl]benzene
SMILESC=CCO/C(C)=C/c1ccccc1
InChIInChI=1S/C12H14O/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3/b11-10+
InChIKeyNEXODDDZCXDYJN-ZHACJKMWSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
3-(1-phenylprop-1-en-2-yloxy)propan-1-ol
CID 70184995
[(1Z)-2-methylpenta-1,4-dienyl]benzene
CID 14247244
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
(E)-2-prop-2-enoxybut-2-ene
CID 102099599
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772
(2-methyl-3-phenylprop-1-enyl)benzene
CID 15841501
prop-2-enyl 2-methylprop-2-enoate;prop-2-enyl prop-2-enoate;styrene
CID 68553077
prop-2-enyl (E,1E)-N-methoxy-3-phenylprop-2-enimidate
CID 15262562
3-phenyl-2-prop-2-enylperoxyprop-2-enoic acid
CID 118453560
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847

Frequently Asked Questions

What is the IUPAC name of [(E)-2-prop-2-enoxyprop-1-enyl]benzene?
The IUPAC name of [(E)-2-prop-2-enoxyprop-1-enyl]benzene (CID 67861596) is [(E)-2-prop-2-enoxyprop-1-enyl]benzene.
What is the SMILES notation for [(E)-2-prop-2-enoxyprop-1-enyl]benzene?
The canonical SMILES for [(E)-2-prop-2-enoxyprop-1-enyl]benzene is C=CCO/C(C)=C/c1ccccc1.
What is the InChIKey of [(E)-2-prop-2-enoxyprop-1-enyl]benzene?
The InChIKey is NEXODDDZCXDYJN-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H14O/c1-3-9-13-11(2)10-12-7-5-4-6-8-12/h3-8,10H,1,9H2,2H3/b11-10+.
What are the key properties of [(E)-2-prop-2-enoxyprop-1-enyl]benzene?
[(E)-2-prop-2-enoxyprop-1-enyl]benzene has a molecular weight of 174.24 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-prop-2-enoxyprop-1-enyl]benzene is sourced from PubChem (CID 67861596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).