[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene

C12H16O2 — CID 46845176

IUPAC[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
SMILESCCOCOC/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-2-13-11-14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+
InChIKeyGCTZGKQDVUNMRU-RMKNXTFCSA-N
MW192.26 g/mol
LogP2.71
Rot. Bonds6

About [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene

[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene (PubChem CID 46845176) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
PubChem CID46845176
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
SMILESCCOCOC/C=C/c1ccccc1
InChIInChI=1S/C12H16O2/c1-2-13-11-14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+
InChIKeyGCTZGKQDVUNMRU-RMKNXTFCSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
CID 11310604
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
5-ethoxypent-1-enylbenzene
CID 54285670
3-nonoxyprop-1-enylbenzene
CID 91487084
[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
CID 135079096
3-henicosoxyprop-1-enylbenzene
CID 139660432
N-benzyl-N-ethyl-2-(3-phenylprop-2-enoxy)ethanamine
CID 70407651
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene (CID 46845176) is [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene is CCOCOC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene?
The InChIKey is GCTZGKQDVUNMRU-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-13-11-14-10-6-9-12-7-4-3-5-8-12/h3-9H,2,10-11H2,1H3/b9-6+.
What are the key properties of [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene?
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene has a molecular weight of 192.26 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(ethoxymethoxy)prop-1-enyl]benzene is sourced from PubChem (CID 46845176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).