(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol

C38H48O3Si2 — CID 173309324

IUPAC(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1[C@H](O)C[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H48O3Si2/c1-37(2,3)35(40-42(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32-27-33(39)34(32)36(38(4,5)6)41-43(30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-36,39,42-43H,27H2,1-6H3/t32-,33+,34-,35?,36?/m0/s1
InChIKeyFKELRLGBAKYJQT-LHSNBXEESA-N
MW608.97 g/mol
LogP4.92
Rot. Bonds10

About (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol

(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol (PubChem CID 173309324) has the molecular formula C38H48O3Si2 and a molecular weight of 608.97 g/mol. Its IUPAC name is (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol
PubChem CID173309324
Molecular FormulaC38H48O3Si2
Molecular Weight608.97 g/mol
Exact Mass608.31
IUPAC Name(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol
SMILESCC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1[C@H](O)C[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C38H48O3Si2/c1-37(2,3)35(40-42(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32-27-33(39)34(32)36(38(4,5)6)41-43(30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-36,39,42-43H,27H2,1-6H3/t32-,33+,34-,35?,36?/m0/s1
InChIKeyFKELRLGBAKYJQT-LHSNBXEESA-N
XLogP4.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500608.97
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol?
The IUPAC name of (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol (CID 173309324) is (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol.
What is the SMILES notation for (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol?
The canonical SMILES for (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol is CC(C)(C)C(O[SiH](c1ccccc1)c1ccccc1)[C@@H]1[C@H](O)C[C@@H]1C(O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol?
The InChIKey is FKELRLGBAKYJQT-LHSNBXEESA-N. The full InChI is InChI=1S/C38H48O3Si2/c1-37(2,3)35(40-42(28-19-11-7-12-20-28)29-21-13-8-14-22-29)32-27-33(39)34(32)36(38(4,5)6)41-43(30-23-15-9-16-24-30)31-25-17-10-18-26-31/h7-26,32-36,39,42-43H,27H2,1-6H3/t32-,33+,34-,35?,36?/m0/s1.
What are the key properties of (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol?
(1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol has a molecular weight of 608.97 g/mol, XLogP of 4.92, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-2,3-bis(1-diphenylsilyloxy-2,2-dimethylpropyl)cyclobutan-1-ol is sourced from PubChem (CID 173309324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).