(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol

C19H42O3Si2 — CID 57327520

IUPAC(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-12-16(15-21-23(8,9)18(2,3)4)17(13-14-20)22-24(10,11)19(5,6)7/h12,16-17,20H,1,13-15H2,2-11H3/t16-,17+/m1/s1
InChIKeyWMOKPSSKJIPCNV-SJORKVTESA-N
MW374.71 g/mol
LogP5.58
Rot. Bonds9

About (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol

(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol (PubChem CID 57327520) has the molecular formula C19H42O3Si2 and a molecular weight of 374.71 g/mol. Its IUPAC name is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol.

Molecular Properties

Compound Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol
PubChem CID57327520
Molecular FormulaC19H42O3Si2
Molecular Weight374.71 g/mol
Exact Mass374.27
IUPAC Name(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol
SMILESC=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H42O3Si2/c1-12-16(15-21-23(8,9)18(2,3)4)17(13-14-20)22-24(10,11)19(5,6)7/h12,16-17,20H,1,13-15H2,2-11H3/t16-,17+/m1/s1
InChIKeyWMOKPSSKJIPCNV-SJORKVTESA-N
XLogP5.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.71
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethylnona-1,8-dien-4-ol
CID 11580263
(2R,4R,5R)-2,4-bis(tert-Butyldimethylsilyloxy)-5-methylhept-6-ene
CID 24756074
(3R,4S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-methylhepta-1,6-dien-4-ol
CID 60170021
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-1-ol
CID 10800361

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol?
The IUPAC name of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol (CID 57327520) is (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol.
What is the SMILES notation for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol?
The canonical SMILES for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol is C=C[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](CCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol?
The InChIKey is WMOKPSSKJIPCNV-SJORKVTESA-N. The full InChI is InChI=1S/C19H42O3Si2/c1-12-16(15-21-23(8,9)18(2,3)4)17(13-14-20)22-24(10,11)19(5,6)7/h12,16-17,20H,1,13-15H2,2-11H3/t16-,17+/m1/s1.
What are the key properties of (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol?
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol has a molecular weight of 374.71 g/mol, XLogP of 5.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]hex-5-en-1-ol is sourced from PubChem (CID 57327520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).