[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane

C37H59O6PSi2 — CID 89334375

IUPAC[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane
SMILESCOCOCC/C=C1/[C@H](CC(C)(C)[Si](C)(C)O)C/C(=C\CP(Oc2ccccc2)Oc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H59O6PSi2/c1-36(2,3)46(9,10)43-35-27-30(23-25-44(41-32-18-13-11-14-19-32)42-33-20-15-12-16-21-33)26-31(28-37(4,5)45(7,8)38)34(35)22-17-24-40-29-39-6/h11-16,18-23,31,35,38H,17,24-29H2,1-10H3/b30-23+,34-22-/t31-,35+/m0/s1
InChIKeyQDQHGBWSFFCWDB-QMZORDBXSA-N
MW687.02 g/mol
LogP10.49
Rot. Bonds16

About [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane

[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane (PubChem CID 89334375) has the molecular formula C37H59O6PSi2 and a molecular weight of 687.02 g/mol. Its IUPAC name is [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane.

Molecular Properties

Compound Name[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane
PubChem CID89334375
Molecular FormulaC37H59O6PSi2
Molecular Weight687.02 g/mol
Exact Mass686.36
IUPAC Name[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane
SMILESCOCOCC/C=C1/[C@H](CC(C)(C)[Si](C)(C)O)C/C(=C\CP(Oc2ccccc2)Oc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C37H59O6PSi2/c1-36(2,3)46(9,10)43-35-27-30(23-25-44(41-32-18-13-11-14-19-32)42-33-20-15-12-16-21-33)26-31(28-37(4,5)45(7,8)38)34(35)22-17-24-40-29-39-6/h11-16,18-23,31,35,38H,17,24-29H2,1-10H3/b30-23+,34-22-/t31-,35+/m0/s1
InChIKeyQDQHGBWSFFCWDB-QMZORDBXSA-N
XLogP10.49
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.02
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane?
The IUPAC name of [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane (CID 89334375) is [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane.
What is the SMILES notation for [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane?
The canonical SMILES for [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane is COCOCC/C=C1/[C@H](CC(C)(C)[Si](C)(C)O)C/C(=C\CP(Oc2ccccc2)Oc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane?
The InChIKey is QDQHGBWSFFCWDB-QMZORDBXSA-N. The full InChI is InChI=1S/C37H59O6PSi2/c1-36(2,3)46(9,10)43-35-27-30(23-25-44(41-32-18-13-11-14-19-32)42-33-20-15-12-16-21-33)26-31(28-37(4,5)45(7,8)38)34(35)22-17-24-40-29-39-6/h11-16,18-23,31,35,38H,17,24-29H2,1-10H3/b30-23+,34-22-/t31-,35+/m0/s1.
What are the key properties of [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane?
[(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane has a molecular weight of 687.02 g/mol, XLogP of 10.49, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-[(3R,4Z,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-[2-[hydroxy(dimethyl)silyl]-2-methylpropyl]-4-[3-(methoxymethoxy)propylidene]cyclohexylidene]ethyl]-diphenoxyphosphane is sourced from PubChem (CID 89334375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).