[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

C22H36O2Si — CID 101430647

IUPAC[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/CCc1ccc(OC)cc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,19(5)6)24-20(7)11-9-10-12-21-13-15-22(23-8)16-14-21/h9,11,13-19H,7,10,12H2,1-6,8H3/b11-9+
InChIKeyCIDHRWQZKPEGJT-PKNBQFBNSA-N
MW360.61 g/mol
LogP6.89
Rot. Bonds10

About [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane

[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101430647) has the molecular formula C22H36O2Si and a molecular weight of 360.61 g/mol. Its IUPAC name is [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
PubChem CID101430647
Molecular FormulaC22H36O2Si
Molecular Weight360.61 g/mol
Exact Mass360.25
IUPAC Name[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane
SMILESC=C(/C=C/CCc1ccc(OC)cc1)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,19(5)6)24-20(7)11-9-10-12-21-13-15-22(23-8)16-14-21/h9,11,13-19H,7,10,12H2,1-6,8H3/b11-9+
InChIKeyCIDHRWQZKPEGJT-PKNBQFBNSA-N
XLogP6.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
CID 23455715
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
CID 22760095
1-(4-methoxyphenyl)-N-tri(propan-2-yl)silyloxymethanamine
CID 132599430
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
1-but-3-enyl-4-methoxybenzene
CID 164669650
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635

Frequently Asked Questions

What is the IUPAC name of [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane (CID 101430647) is [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is C=C(/C=C/CCc1ccc(OC)cc1)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CIDHRWQZKPEGJT-PKNBQFBNSA-N. The full InChI is InChI=1S/C22H36O2Si/c1-17(2)25(18(3)4,19(5)6)24-20(7)11-9-10-12-21-13-15-22(23-8)16-14-21/h9,11,13-19H,7,10,12H2,1-6,8H3/b11-9+.
What are the key properties of [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane?
[(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 360.61 g/mol, XLogP of 6.89, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-6-(4-methoxyphenyl)hexa-1,3-dien-2-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101430647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).