[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane

C28H48O4Si — CID 134878756

IUPAC[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C
InChIInChI=1S/C28H48O4Si/c1-12-21(8)27(32-33(18(2)3,19(4)5)20(6)7)23(10)26-22(9)17-30-28(31-26)24-13-15-25(29-11)16-14-24/h12-16,18-23,26-28H,1,17H2,2-11H3/t21-,22+,23+,26+,27-,28+/m0/s1
InChIKeyCTHHIEOAZRGANT-UDFPQCQISA-N
MW476.77 g/mol
LogP7.76
Rot. Bonds11

About [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 134878756) has the molecular formula C28H48O4Si and a molecular weight of 476.77 g/mol. Its IUPAC name is [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID134878756
Molecular FormulaC28H48O4Si
Molecular Weight476.77 g/mol
Exact Mass476.33
IUPAC Name[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C
InChIInChI=1S/C28H48O4Si/c1-12-21(8)27(32-33(18(2)3,19(4)5)20(6)7)23(10)26-22(9)17-30-28(31-26)24-13-15-25(29-11)16-14-24/h12-16,18-23,26-28H,1,17H2,2-11H3/t21-,22+,23+,26+,27-,28+/m0/s1
InChIKeyCTHHIEOAZRGANT-UDFPQCQISA-N
XLogP7.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.77
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane (CID 134878756) is [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane is C=C[C@H](C)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](C)[C@@H]1O[C@H](c2ccc(OC)cc2)OC[C@H]1C.
What is the InChIKey of [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CTHHIEOAZRGANT-UDFPQCQISA-N. The full InChI is InChI=1S/C28H48O4Si/c1-12-21(8)27(32-33(18(2)3,19(4)5)20(6)7)23(10)26-22(9)17-30-28(31-26)24-13-15-25(29-11)16-14-24/h12-16,18-23,26-28H,1,17H2,2-11H3/t21-,22+,23+,26+,27-,28+/m0/s1.
What are the key properties of [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 476.77 g/mol, XLogP of 7.76, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-2-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-4-methylhex-5-en-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 134878756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).