[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane

C32H62OSi4 — CID 177476384

IUPAC[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(/O[Si](C)(C)C)C23CC4CC(CC(C4)C2)C3)C(C)(C)C)C1
InChIInChI=1S/C32H62OSi4/c1-23-15-28(37(22-24(23)2,35(9,10)11)36(12,13)14)29(31(3,4)5)30(33-34(6,7)8)32-19-25-16-26(20-32)18-27(17-25)21-32/h25-28H,15-22H2,1-14H3/b30-29-
InChIKeyUDYUBCXMLWMSBK-FLWNBWAVSA-N
MW575.19 g/mol
LogP10.75
Rot. Bonds6

About [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane

[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane (PubChem CID 177476384) has the molecular formula C32H62OSi4 and a molecular weight of 575.19 g/mol. Its IUPAC name is [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane
PubChem CID177476384
Molecular FormulaC32H62OSi4
Molecular Weight575.19 g/mol
Exact Mass574.39
IUPAC Name[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane
SMILESCC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(/O[Si](C)(C)C)C23CC4CC(CC(C4)C2)C3)C(C)(C)C)C1
InChIInChI=1S/C32H62OSi4/c1-23-15-28(37(22-24(23)2,35(9,10)11)36(12,13)14)29(31(3,4)5)30(33-34(6,7)8)32-19-25-16-26(20-32)18-27(17-25)21-32/h25-28H,15-22H2,1-14H3/b30-29-
InChIKeyUDYUBCXMLWMSBK-FLWNBWAVSA-N
XLogP10.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.19
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The IUPAC name of [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane (CID 177476384) is [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane.
What is the SMILES notation for [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The canonical SMILES for [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane is CC1=C(C)C[Si]([Si](C)(C)C)([Si](C)(C)C)C(/C(=C(/O[Si](C)(C)C)C23CC4CC(CC(C4)C2)C3)C(C)(C)C)C1.
What is the InChIKey of [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane?
The InChIKey is UDYUBCXMLWMSBK-FLWNBWAVSA-N. The full InChI is InChI=1S/C32H62OSi4/c1-23-15-28(37(22-24(23)2,35(9,10)11)36(12,13)14)29(31(3,4)5)30(33-34(6,7)8)32-19-25-16-26(20-32)18-27(17-25)21-32/h25-28H,15-22H2,1-14H3/b30-29-.
What are the key properties of [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane?
[(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane has a molecular weight of 575.19 g/mol, XLogP of 10.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(1-adamantyl)-2-[4,5-dimethyl-1,1-bis(trimethylsilyl)-3,6-dihydro-2H-silin-2-yl]-3,3-dimethylbut-1-enoxy]-trimethylsilane is sourced from PubChem (CID 177476384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).