[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane

C34H66O2Si6 — CID 101247962

IUPAC[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(O[Si](C)(C)C)C(C23CC4CC(CC(C4)C2)C3)=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H66O2Si6/c1-37(2,3)35-41(36-38(4,5)6)31(33-19-25-13-26(20-33)15-27(14-25)21-33)32(42(41,39(7,8)9)40(10,11)12)34-22-28-16-29(23-34)18-30(17-28)24-34/h25-30H,13-24H2,1-12H3
InChIKeyHDRYHGMQCIUAMP-UHFFFAOYSA-N
MW675.42 g/mol
LogP10.31
Rot. Bonds8

About [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane

[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane (PubChem CID 101247962) has the molecular formula C34H66O2Si6 and a molecular weight of 675.42 g/mol. Its IUPAC name is [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane
PubChem CID101247962
Molecular FormulaC34H66O2Si6
Molecular Weight675.42 g/mol
Exact Mass674.37
IUPAC Name[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane
SMILESC[Si](C)(C)O[Si]1(O[Si](C)(C)C)C(C23CC4CC(CC(C4)C2)C3)=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C34H66O2Si6/c1-37(2,3)35-41(36-38(4,5)6)31(33-19-25-13-26(20-33)15-27(14-25)21-33)32(42(41,39(7,8)9)40(10,11)12)34-22-28-16-29(23-34)18-30(17-28)24-34/h25-30H,13-24H2,1-12H3
InChIKeyHDRYHGMQCIUAMP-UHFFFAOYSA-N
XLogP10.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.42
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane?
The IUPAC name of [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane (CID 101247962) is [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane.
What is the SMILES notation for [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane?
The canonical SMILES for [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane is C[Si](C)(C)O[Si]1(O[Si](C)(C)C)C(C23CC4CC(CC(C4)C2)C3)=C(C23CC4CC(CC(C4)C2)C3)[Si]1([Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane?
The InChIKey is HDRYHGMQCIUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66O2Si6/c1-37(2,3)35-41(36-38(4,5)6)31(33-19-25-13-26(20-33)15-27(14-25)21-33)32(42(41,39(7,8)9)40(10,11)12)34-22-28-16-29(23-34)18-30(17-28)24-34/h25-30H,13-24H2,1-12H3.
What are the key properties of [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane?
[3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane has a molecular weight of 675.42 g/mol, XLogP of 10.31, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-bis(1-adamantyl)-2,2-bis(trimethylsilyl)-1-trimethylsilyloxydisilet-1-yl]oxy-trimethylsilane is sourced from PubChem (CID 101247962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).