[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane

C23H36O2Si — CID 101246046

IUPAC[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane
SMILESC=CCC(O[Si](OC(/C=C\C)/C=C/C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C23H36O2Si/c1-8-14-22(15-9-2)24-26(19(4)5,20(6)7)25-23(16-10-3)21-17-12-11-13-18-21/h8-15,17-20,22-23H,3,16H2,1-2,4-7H3/b14-8-,15-9+
InChIKeyYXOPAJQRORABRH-DJJIWSAGSA-N
MW372.63 g/mol
LogP7.12
Rot. Bonds11

About [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane

[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane (PubChem CID 101246046) has the molecular formula C23H36O2Si and a molecular weight of 372.63 g/mol. Its IUPAC name is [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane.

Molecular Properties

Compound Name[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane
PubChem CID101246046
Molecular FormulaC23H36O2Si
Molecular Weight372.63 g/mol
Exact Mass372.25
IUPAC Name[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane
SMILESC=CCC(O[Si](OC(/C=C\C)/C=C/C)(C(C)C)C(C)C)c1ccccc1
InChIInChI=1S/C23H36O2Si/c1-8-14-22(15-9-2)24-26(19(4)5,20(6)7)25-23(16-10-3)21-17-12-11-13-18-21/h8-15,17-20,22-23H,3,16H2,1-2,4-7H3/b14-8-,15-9+
InChIKeyYXOPAJQRORABRH-DJJIWSAGSA-N
XLogP7.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.63
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-phenylpent-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079832
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498
chloromethyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 10729668
tert-butyl-dimethyl-(1-phenylbut-3-enoxy)silane
CID 11230810
CID 10779896
CID 10779896
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
CID 177490506
CID 177490506
triethyl-[(S)-[(1S)-1-(4-fluorophenyl)but-3-enoxy]-phenylmethyl]silane
CID 11222478
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
1-phenylbut-3-enyl carbamate
CID 126509930
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863

Frequently Asked Questions

What is the IUPAC name of [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane?
The IUPAC name of [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane (CID 101246046) is [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane.
What is the SMILES notation for [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane?
The canonical SMILES for [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane is C=CCC(O[Si](OC(/C=C\C)/C=C/C)(C(C)C)C(C)C)c1ccccc1.
What is the InChIKey of [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane?
The InChIKey is YXOPAJQRORABRH-DJJIWSAGSA-N. The full InChI is InChI=1S/C23H36O2Si/c1-8-14-22(15-9-2)24-26(19(4)5,20(6)7)25-23(16-10-3)21-17-12-11-13-18-21/h8-15,17-20,22-23H,3,16H2,1-2,4-7H3/b14-8-,15-9+.
What are the key properties of [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane?
[(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane has a molecular weight of 372.63 g/mol, XLogP of 7.12, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,5E)-hepta-2,5-dien-4-yl]oxy-(1-phenylbut-3-enoxy)-di(propan-2-yl)silane is sourced from PubChem (CID 101246046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).