[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene

C13H16OSe — CID 102472359

IUPAC[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene
SMILESC=CC/C=C(/COC)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-3-4-8-13(11-14-2)15-12-9-6-5-7-10-12/h3,5-10H,1,4,11H2,2H3/b13-8-
InChIKeyMJKAOIZWJWYPAW-JYRVWZFOSA-N
MW267.23 g/mol
LogP2.12
Rot. Bonds6

About [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene

[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene (PubChem CID 102472359) has the molecular formula C13H16OSe and a molecular weight of 267.23 g/mol. Its IUPAC name is [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene.

Molecular Properties

Compound Name[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene
PubChem CID102472359
Molecular FormulaC13H16OSe
Molecular Weight267.23 g/mol
Exact Mass268.04
IUPAC Name[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene
SMILESC=CC/C=C(/COC)[Se]c1ccccc1
InChIInChI=1S/C13H16OSe/c1-3-4-8-13(11-14-2)15-12-9-6-5-7-10-12/h3,5-10H,1,4,11H2,2H3/b13-8-
InChIKeyMJKAOIZWJWYPAW-JYRVWZFOSA-N
XLogP2.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pent-4-en-2-yl phenylselanylformate
CID 10333274
[(E)-dec-5-en-5-yl]selanylbenzene
CID 12741495
[(E)-non-3-en-3-yl]selanylbenzene
CID 102123205
[(Z)-2,3-bis(phenylselanyl)prop-1-enyl]benzene
CID 102573736
[(Z)-dodec-5-en-5-yl]selanylbenzene
CID 134921010
N-ethenylmethanimine;(E)-1-methoxy-2-methylbut-2-ene;toluene
CID 142206770
[(E)-3-but-2-ynoxy-1-phenylselanylprop-1-en-2-yl]selanylbenzene
CID 10342066
[(1E,3Z)-1-phenylpenta-1,3-dien-3-yl]selanylbenzene
CID 102274955
(2Z)-hexa-2,5-dien-2-ol
CID 102117953
(E)-N-methyl-3-phenyl-3-phenylselanylprop-2-en-1-amine
CID 101356618
tributyl-[(E)-3-methoxy-1-phenylselanylprop-1-en-2-yl]stannane
CID 10649526
tris(3-methoxy-2-methylprop-1-enoxy)-phenylsilane
CID 67882512

Frequently Asked Questions

What is the IUPAC name of [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene?
The IUPAC name of [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene (CID 102472359) is [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene.
What is the SMILES notation for [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene?
The canonical SMILES for [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene is C=CC/C=C(/COC)[Se]c1ccccc1.
What is the InChIKey of [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene?
The InChIKey is MJKAOIZWJWYPAW-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H16OSe/c1-3-4-8-13(11-14-2)15-12-9-6-5-7-10-12/h3,5-10H,1,4,11H2,2H3/b13-8-.
What are the key properties of [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene?
[(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene has a molecular weight of 267.23 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-1-methoxyhexa-2,5-dien-2-yl]selanylbenzene is sourced from PubChem (CID 102472359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).