[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

C31H62O3Si2 — CID 10973544

IUPAC[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C31H62O3Si2/c1-22(2)35(23(3)4,24(5)6)33-21-29(18-19-32-31(13,14)15)28-16-17-30(20-28)34-36(25(7)8,26(9)10)27(11)12/h16-18,22-28,30H,19-21H2,1-15H3/b29-18-/t28-,30+/m1/s1
InChIKeyCKFIQMXOPSUXNH-HFFXRJAWSA-N
MW539.01 g/mol
LogP10.06
Rot. Bonds14

About [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane

[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (PubChem CID 10973544) has the molecular formula C31H62O3Si2 and a molecular weight of 539.01 g/mol. Its IUPAC name is [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
PubChem CID10973544
Molecular FormulaC31H62O3Si2
Molecular Weight539.01 g/mol
Exact Mass538.42
IUPAC Name[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1)(C(C)C)C(C)C
InChIInChI=1S/C31H62O3Si2/c1-22(2)35(23(3)4,24(5)6)33-21-29(18-19-32-31(13,14)15)28-16-17-30(20-28)34-36(25(7)8,26(9)10)27(11)12/h16-18,22-28,30H,19-21H2,1-15H3/b29-18-/t28-,30+/m1/s1
InChIKeyCKFIQMXOPSUXNH-HFFXRJAWSA-N
XLogP10.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.01
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane (CID 10973544) is [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@@H]1C=C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C1)(C(C)C)C(C)C.
What is the InChIKey of [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is CKFIQMXOPSUXNH-HFFXRJAWSA-N. The full InChI is InChI=1S/C31H62O3Si2/c1-22(2)35(23(3)4,24(5)6)33-21-29(18-19-32-31(13,14)15)28-16-17-30(20-28)34-36(25(7)8,26(9)10)27(11)12/h16-18,22-28,30H,19-21H2,1-15H3/b29-18-/t28-,30+/m1/s1.
What are the key properties of [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane?
[(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 539.01 g/mol, XLogP of 10.06, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopent-2-en-1-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 10973544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).