1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol

C16H38O3Si2 — CID 11416377

IUPAC1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h14,17H,11-13H2,1-10H3
InChIKeyFVJUNFNHUYYLNB-UHFFFAOYSA-N
MW334.65 g/mol
LogP4.78
Rot. Bonds7

About 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol

1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol (PubChem CID 11416377) has the molecular formula C16H38O3Si2 and a molecular weight of 334.65 g/mol. Its IUPAC name is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol.

Molecular Properties

Compound Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol
PubChem CID11416377
Molecular FormulaC16H38O3Si2
Molecular Weight334.65 g/mol
Exact Mass334.24
IUPAC Name1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol
SMILESCC(C)(C)[Si](C)(C)OCCC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H38O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h14,17H,11-13H2,1-10H3
InChIKeyFVJUNFNHUYYLNB-UHFFFAOYSA-N
XLogP4.78
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.65
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,8-Dioxa-3,9-disilaundecan-6-ol, 2,2,3,3,9,9,10,10-octamethyl-
CID 10758091
(2R)-1-(tert-butyldimethylsilyloxy)butan-2-ol
CID 11321679
(2R)-3-{[tert-Butyl(dimethyl)silyl]oxy}propane-1,2-diol
CID 13552567
(2S)-3-[tert-butyl(dimethyl)silyl]oxypropane-1,2-diol
CID 100997878
(3R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-1-ol
CID 135034831
1,3-Propanediol, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 11481169
1,5-Bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 174186395
(1R,2S,3S)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 9991042
(1R,2S,3R)-1-[tert-butyl(dimethyl)silyl]butane-1,2,3-triol
CID 10466063
(2R,3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]hex-5-yn-2-ol
CID 11360351
(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11521515
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol
CID 11579557

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol?
The IUPAC name of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol (CID 11416377) is 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol.
What is the SMILES notation for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol?
The canonical SMILES for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol is CC(C)(C)[Si](C)(C)OCCC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol?
The InChIKey is FVJUNFNHUYYLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O3Si2/c1-15(2,3)20(7,8)18-12-11-14(17)13-19-21(9,10)16(4,5)6/h14,17H,11-13H2,1-10H3.
What are the key properties of 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol?
1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol has a molecular weight of 334.65 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[[tert-butyl(dimethyl)silyl]oxy]butan-2-ol is sourced from PubChem (CID 11416377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).