[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane

C24H42O4Si — CID 11362234

IUPAC[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@](C)(/C=C/COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H42O4Si/c1-20(2)29(21(3)4,22(5)6)28-18-24(7,27-19-25-8)15-12-16-26-17-23-13-10-9-11-14-23/h9-15,20-22H,16-19H2,1-8H3/b15-12+/t24-/m1/s1
InChIKeyMDNBUPLAFXLMNT-AIIPKAINSA-N
MW422.68 g/mol
LogP6.33
Rot. Bonds14

About [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane

[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane (PubChem CID 11362234) has the molecular formula C24H42O4Si and a molecular weight of 422.68 g/mol. Its IUPAC name is [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane
PubChem CID11362234
Molecular FormulaC24H42O4Si
Molecular Weight422.68 g/mol
Exact Mass422.29
IUPAC Name[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane
SMILESCOCO[C@](C)(/C=C/COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H42O4Si/c1-20(2)29(21(3)4,22(5)6)28-18-24(7,27-19-25-8)15-12-16-26-17-23-13-10-9-11-14-23/h9-15,20-22H,16-19H2,1-8H3/b15-12+/t24-/m1/s1
InChIKeyMDNBUPLAFXLMNT-AIIPKAINSA-N
XLogP6.33
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.68
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane (CID 11362234) is [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane is COCO[C@](C)(/C=C/COCc1ccccc1)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane?
The InChIKey is MDNBUPLAFXLMNT-AIIPKAINSA-N. The full InChI is InChI=1S/C24H42O4Si/c1-20(2)29(21(3)4,22(5)6)28-18-24(7,27-19-25-8)15-12-16-26-17-23-13-10-9-11-14-23/h9-15,20-22H,16-19H2,1-8H3/b15-12+/t24-/m1/s1.
What are the key properties of [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane?
[(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane has a molecular weight of 422.68 g/mol, XLogP of 6.33, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-2-(methoxymethoxy)-2-methyl-5-phenylmethoxypent-3-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 11362234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).