(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol

C17H38O4Si — CID 138967167

IUPAC(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol
SMILESCCCCC[C@H](C[C@@H](CO)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O4Si/c1-8-9-10-11-15(12-16(13-18)20-14-19-5)21-22(6,7)17(2,3)4/h15-16,18H,8-14H2,1-7H3/t15-,16+/m1/s1
InChIKeyBKGGSGRPHKDURW-CVEARBPZSA-N
MW334.57 g/mol
LogP4.33
Rot. Bonds12

About (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol

(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol (PubChem CID 138967167) has the molecular formula C17H38O4Si and a molecular weight of 334.57 g/mol. Its IUPAC name is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol.

Molecular Properties

Compound Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol
PubChem CID138967167
Molecular FormulaC17H38O4Si
Molecular Weight334.57 g/mol
Exact Mass334.25
IUPAC Name(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol
SMILESCCCCC[C@H](C[C@@H](CO)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H38O4Si/c1-8-9-10-11-15(12-16(13-18)20-14-19-5)21-22(6,7)17(2,3)4/h15-16,18H,8-14H2,1-7H3/t15-,16+/m1/s1
InChIKeyBKGGSGRPHKDURW-CVEARBPZSA-N
XLogP4.33
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.57
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-1-hexadecoxybutan-2-ol
CID 11362793
(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
(1R)-1-[(4R,5S)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 44515761
(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
CID 57326346
(4R,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-yn-4-ol
CID 101395990
(2R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octan-2-ol
CID 101928703
[(4s,5s)-5-[(s)-3-(t-Butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 129843188
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
CID 135016309
[(4S,5R)-5-[(6S)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 135021412
(3S,6R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-octoxyoxane-3,4,5-triol
CID 135077608
[(4R,5S)-5-[(2R,8R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)tridecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 138967740
(4S,6R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-6-(2-trimethylsilylethoxymethoxy)oct-1-yn-4-ol
CID 139249822

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol?
The IUPAC name of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol (CID 138967167) is (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol.
What is the SMILES notation for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol?
The canonical SMILES for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol is CCCCC[C@H](C[C@@H](CO)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol?
The InChIKey is BKGGSGRPHKDURW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H38O4Si/c1-8-9-10-11-15(12-16(13-18)20-14-19-5)21-22(6,7)17(2,3)4/h15-16,18H,8-14H2,1-7H3/t15-,16+/m1/s1.
What are the key properties of (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol?
(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol has a molecular weight of 334.57 g/mol, XLogP of 4.33, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)nonan-1-ol is sourced from PubChem (CID 138967167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).