2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol

C18H42O3Si2 — CID 91726205

IUPAC2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol
SMILESCCC(CO)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-12-18(13-19,14-20-22(8,9)16(2,3)4)15-21-23(10,11)17(5,6)7/h19H,12-15H2,1-11H3
InChIKeyKMONPVYEGYYVLN-UHFFFAOYSA-N
MW362.70 g/mol
LogP5.42
Rot. Bonds8

About 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol

2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol (PubChem CID 91726205) has the molecular formula C18H42O3Si2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol.

Molecular Properties

Compound Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol
PubChem CID91726205
Molecular FormulaC18H42O3Si2
Molecular Weight362.70 g/mol
Exact Mass362.27
IUPAC Name2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol
SMILESCCC(CO)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H42O3Si2/c1-12-18(13-19,14-20-22(8,9)16(2,3)4)15-21-23(10,11)17(5,6)7/h19H,12-15H2,1-11H3
InChIKeyKMONPVYEGYYVLN-UHFFFAOYSA-N
XLogP5.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.42
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 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol?
The IUPAC name of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol (CID 91726205) is 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol.
What is the SMILES notation for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol?
The canonical SMILES for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol is CCC(CO)(CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol?
The InChIKey is KMONPVYEGYYVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42O3Si2/c1-12-18(13-19,14-20-22(8,9)16(2,3)4)15-21-23(10,11)17(5,6)7/h19H,12-15H2,1-11H3.
What are the key properties of 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol?
2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol has a molecular weight of 362.70 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[[tert-butyl(dimethyl)silyl]oxymethyl]butan-1-ol is sourced from PubChem (CID 91726205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).