[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene

C13H18O3 — CID 11310604

IUPAC[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
SMILESCOCCOCOC/C=C/c1ccccc1
InChIInChI=1S/C13H18O3/c1-14-10-11-16-12-15-9-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3/b8-5+
InChIKeyMHKYJVLQYOXRFL-VMPITWQZSA-N
MW222.28 g/mol
LogP2.34
Rot. Bonds8

About [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene

[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene (PubChem CID 11310604) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
PubChem CID11310604
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene
SMILESCOCCOCOC/C=C/c1ccccc1
InChIInChI=1S/C13H18O3/c1-14-10-11-16-12-15-9-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3/b8-5+
InChIKeyMHKYJVLQYOXRFL-VMPITWQZSA-N
XLogP2.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
3-nonoxyprop-1-enylbenzene
CID 91487084
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
3-henicosoxyprop-1-enylbenzene
CID 139660432
(Z)-3-(methoxymethyl)-4-[(E)-3-phenylprop-2-enoxy]but-2-enoic acid
CID 126526206
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
N,N-dimethyl-2-[(E)-3-phenylprop-2-enoxy]ethanamine;oxalic acid
CID 70686302
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene (CID 11310604) is [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene is COCCOCOC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene?
The InChIKey is MHKYJVLQYOXRFL-VMPITWQZSA-N. The full InChI is InChI=1S/C13H18O3/c1-14-10-11-16-12-15-9-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3/b8-5+.
What are the key properties of [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene?
[(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene has a molecular weight of 222.28 g/mol, XLogP of 2.34, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-methoxyethoxymethoxy)prop-1-enyl]benzene is sourced from PubChem (CID 11310604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).