(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol

C29H46O5Si — CID 25058881

IUPAC(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
SMILESCOc1ccc(CO[C@@H](c2ccco2)[C@H](C)[C@@H](O)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C29H46O5Si/c1-20(2)35(21(3)4,22(5)6)34-18-16-23(7)28(30)24(8)29(27-11-10-17-32-27)33-19-25-12-14-26(31-9)15-13-25/h10-17,20-22,24,28-30H,18-19H2,1-9H3/b23-16-/t24-,28+,29-/m1/s1
InChIKeyDGRNVLFEHIZTIK-NILGFZGYSA-N
MW502.77 g/mol
LogP7.68
Rot. Bonds14

About (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol

(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol (PubChem CID 25058881) has the molecular formula C29H46O5Si and a molecular weight of 502.77 g/mol. Its IUPAC name is (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol.

Molecular Properties

Compound Name(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
PubChem CID25058881
Molecular FormulaC29H46O5Si
Molecular Weight502.77 g/mol
Exact Mass502.31
IUPAC Name(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol
SMILESCOc1ccc(CO[C@@H](c2ccco2)[C@H](C)[C@@H](O)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1
InChIInChI=1S/C29H46O5Si/c1-20(2)35(21(3)4,22(5)6)34-18-16-23(7)28(30)24(8)29(27-11-10-17-32-27)33-19-25-12-14-26(31-9)15-13-25/h10-17,20-22,24,28-30H,18-19H2,1-9H3/b23-16-/t24-,28+,29-/m1/s1
InChIKeyDGRNVLFEHIZTIK-NILGFZGYSA-N
XLogP7.68
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.77
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol?
The IUPAC name of (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol (CID 25058881) is (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol.
What is the SMILES notation for (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol?
The canonical SMILES for (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol is COc1ccc(CO[C@@H](c2ccco2)[C@H](C)[C@@H](O)/C(C)=C\CO[Si](C(C)C)(C(C)C)C(C)C)cc1.
What is the InChIKey of (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol?
The InChIKey is DGRNVLFEHIZTIK-NILGFZGYSA-N. The full InChI is InChI=1S/C29H46O5Si/c1-20(2)35(21(3)4,22(5)6)34-18-16-23(7)28(30)24(8)29(27-11-10-17-32-27)33-19-25-12-14-26(31-9)15-13-25/h10-17,20-22,24,28-30H,18-19H2,1-9H3/b23-16-/t24-,28+,29-/m1/s1.
What are the key properties of (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol?
(Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol has a molecular weight of 502.77 g/mol, XLogP of 7.68, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,2R,3R)-1-(furan-2-yl)-1-[(4-methoxyphenyl)methoxy]-2,4-dimethyl-6-tri(propan-2-yl)silyloxyhex-4-en-3-ol is sourced from PubChem (CID 25058881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).