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

C14H16O — CID 15686056

IUPAC[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene
SMILESC(COC/C=C/c1ccccc1)=C1CC1
InChIInChI=1S/C14H16O/c1-2-5-13(6-3-1)7-4-11-15-12-10-14-8-9-14/h1-7,10H,8-9,11-12H2/b7-4+
InChIKeyKLIVGCHPGPQKBW-QPJJXVBHSA-N
MW200.28 g/mol
LogP3.44
Rot. Bonds5

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

[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene (PubChem CID 15686056) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene
PubChem CID15686056
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene
SMILESC(COC/C=C/c1ccccc1)=C1CC1
InChIInChI=1S/C14H16O/c1-2-5-13(6-3-1)7-4-11-15-12-10-14-8-9-14/h1-7,10H,8-9,11-12H2/b7-4+
InChIKeyKLIVGCHPGPQKBW-QPJJXVBHSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 135085265
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CID 15531171
2-[(Z)-3-phenylprop-2-enoxy]ethanol
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3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
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[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
(E)-5-[(E)-3-phenylprop-2-enoxy]pent-3-en-2-one
CID 11310468
1-[[(E)-3-phenylprop-2-enoxy]methyl]cyclopentan-1-amine
CID 64573522
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
1-(3-phenylprop-2-enoxy)propan-2-ol
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CID 91021368

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene?
The IUPAC name of [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene (CID 15686056) is [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene?
The canonical SMILES for [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene is C(COC/C=C/c1ccccc1)=C1CC1.
What is the InChIKey of [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene?
The InChIKey is KLIVGCHPGPQKBW-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H16O/c1-2-5-13(6-3-1)7-4-11-15-12-10-14-8-9-14/h1-7,10H,8-9,11-12H2/b7-4+.
What are the key properties of [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene?
[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene has a molecular weight of 200.28 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene is sourced from PubChem (CID 15686056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).