[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane

C28H42O5Si — CID 102522555

IUPAC[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane
SMILESCOCOc1cccc(OCOC)c1[C@@H](/C=C/CCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H42O5Si/c1-28(2,3)34(6,7)33-20-24(17-12-11-16-23-14-9-8-10-15-23)27-25(31-21-29-4)18-13-19-26(27)32-22-30-5/h8-10,12-15,17-19,24H,11,16,20-22H2,1-7H3/b17-12+/t24-/m0/s1
InChIKeyWZDCSOLQMQNVOC-JYFCICGUSA-N
MW486.73 g/mol
LogP6.95
Rot. Bonds14

About [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane

[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane (PubChem CID 102522555) has the molecular formula C28H42O5Si and a molecular weight of 486.73 g/mol. Its IUPAC name is [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane
PubChem CID102522555
Molecular FormulaC28H42O5Si
Molecular Weight486.73 g/mol
Exact Mass486.28
IUPAC Name[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane
SMILESCOCOc1cccc(OCOC)c1[C@@H](/C=C/CCc1ccccc1)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H42O5Si/c1-28(2,3)34(6,7)33-20-24(17-12-11-16-23-14-9-8-10-15-23)27-25(31-21-29-4)18-13-19-26(27)32-22-30-5/h8-10,12-15,17-19,24H,11,16,20-22H2,1-7H3/b17-12+/t24-/m0/s1
InChIKeyWZDCSOLQMQNVOC-JYFCICGUSA-N
XLogP6.95
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.73
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane (CID 102522555) is [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane is COCOc1cccc(OCOC)c1[C@@H](/C=C/CCc1ccccc1)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane?
The InChIKey is WZDCSOLQMQNVOC-JYFCICGUSA-N. The full InChI is InChI=1S/C28H42O5Si/c1-28(2,3)34(6,7)33-20-24(17-12-11-16-23-14-9-8-10-15-23)27-25(31-21-29-4)18-13-19-26(27)32-22-30-5/h8-10,12-15,17-19,24H,11,16,20-22H2,1-7H3/b17-12+/t24-/m0/s1.
What are the key properties of [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane?
[(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane has a molecular weight of 486.73 g/mol, XLogP of 6.95, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2R)-2-[2,6-bis(methoxymethoxy)phenyl]-6-phenylhex-3-enoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 102522555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).