[(E)-3-pent-2-ynoxyprop-1-enyl]benzene

C14H16O — CID 135079096

IUPAC[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
SMILESCCC#CCOC/C=C/c1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,8-11H,2,12-13H2,1H3/b11-8+
InChIKeyCANCRKKMZWQDAG-DHZHZOJOSA-N
MW200.28 g/mol
LogP3.13
Rot. Bonds4

About [(E)-3-pent-2-ynoxyprop-1-enyl]benzene

[(E)-3-pent-2-ynoxyprop-1-enyl]benzene (PubChem CID 135079096) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(E)-3-pent-2-ynoxyprop-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
PubChem CID135079096
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(E)-3-pent-2-ynoxyprop-1-enyl]benzene
SMILESCCC#CCOC/C=C/c1ccccc1
InChIInChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,8-11H,2,12-13H2,1H3/b11-8+
InChIKeyCANCRKKMZWQDAG-DHZHZOJOSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.13
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

[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
[(E)-3-(ethoxymethoxy)prop-1-enyl]benzene
CID 46845176
2-methyl-1-(3-phenylprop-2-enoxy)butan-2-amine
CID 77047305
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
[(E)-3-[(E)-4-iodobut-2-enoxy]prop-1-enyl]benzene
CID 135085265
1-nitro-4-[3-[(E)-3-phenylprop-2-enoxy]prop-1-ynyl]benzene
CID 44556644
3-[(E)-3-phenylprop-2-enoxy]propanenitrile
CID 43128812
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-pent-2-ynoxyprop-1-enyl]benzene?
The IUPAC name of [(E)-3-pent-2-ynoxyprop-1-enyl]benzene (CID 135079096) is [(E)-3-pent-2-ynoxyprop-1-enyl]benzene.
What is the SMILES notation for [(E)-3-pent-2-ynoxyprop-1-enyl]benzene?
The canonical SMILES for [(E)-3-pent-2-ynoxyprop-1-enyl]benzene is CCC#CCOC/C=C/c1ccccc1.
What is the InChIKey of [(E)-3-pent-2-ynoxyprop-1-enyl]benzene?
The InChIKey is CANCRKKMZWQDAG-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H16O/c1-2-3-7-12-15-13-8-11-14-9-5-4-6-10-14/h4-6,8-11H,2,12-13H2,1H3/b11-8+.
What are the key properties of [(E)-3-pent-2-ynoxyprop-1-enyl]benzene?
[(E)-3-pent-2-ynoxyprop-1-enyl]benzene has a molecular weight of 200.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-pent-2-ynoxyprop-1-enyl]benzene is sourced from PubChem (CID 135079096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).