[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene

C12H12O — CID 129361921

IUPAC[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
SMILESC#CCOC/C=C\c1ccccc1
InChIInChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h1,3-9H,10-11H2/b9-6-
InChIKeyVMKISEXUKFXERZ-TWGQIWQCSA-N
MW172.23 g/mol
LogP2.35
Rot. Bonds4

About [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene

[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene (PubChem CID 129361921) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
PubChem CID129361921
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
SMILESC#CCOC/C=C\c1ccccc1
InChIInChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h1,3-9H,10-11H2/b9-6-
InChIKeyVMKISEXUKFXERZ-TWGQIWQCSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
CID 135079096
3-(2-bromoethoxy)prop-1-enylbenzene
CID 72731799
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
2-[(Z)-3-phenylprop-2-enoxy]ethanol
CID 11679907
1,3,5-tris[[(E)-3-phenylprop-2-enoxy]methyl]benzene
CID 15531172
hex-1-en-5-ynylbenzene
CID 54176357
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
4-[(E)-3-prop-2-ynoxyprop-1-enyl]-1-tritylimidazole
CID 53360012
1-benzyl-4-[(E)-3-prop-2-ynoxyprop-1-enyl]imidazole
CID 53360013
[(E)-3-(2-cyclopropylideneethoxy)prop-1-enyl]benzene
CID 15686056

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene?
The IUPAC name of [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene (CID 129361921) is [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene.
What is the SMILES notation for [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene?
The canonical SMILES for [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene is C#CCOC/C=C\c1ccccc1.
What is the InChIKey of [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene?
The InChIKey is VMKISEXUKFXERZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H12O/c1-2-10-13-11-6-9-12-7-4-3-5-8-12/h1,3-9H,10-11H2/b9-6-.
What are the key properties of [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene?
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene has a molecular weight of 172.23 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-prop-2-ynoxyprop-1-enyl]benzene is sourced from PubChem (CID 129361921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).