(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol

C20H44O4Si — CID 135015254

IUPAC(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol
SMILESCCC[C@@H](C[C@H](CC[C@@H](C)CCO)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C20H44O4Si/c1-9-10-18(23-16-22-6)15-19(12-11-17(2)13-14-21)24-25(7,8)20(3,4)5/h17-19,21H,9-16H2,1-8H3/t17-,18+,19+/m1/s1
InChIKeyHJXHDGFDONFHDK-QYZOEREBSA-N
MW376.65 g/mol
LogP5.35
Rot. Bonds14

About (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol

(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol (PubChem CID 135015254) has the molecular formula C20H44O4Si and a molecular weight of 376.65 g/mol. Its IUPAC name is (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol.

Molecular Properties

Compound Name(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol
PubChem CID135015254
Molecular FormulaC20H44O4Si
Molecular Weight376.65 g/mol
Exact Mass376.30
IUPAC Name(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol
SMILESCCC[C@@H](C[C@H](CC[C@@H](C)CCO)O[Si](C)(C)C(C)(C)C)OCOC
InChIInChI=1S/C20H44O4Si/c1-9-10-18(23-16-22-6)15-19(12-11-17(2)13-14-21)24-25(7,8)20(3,4)5/h17-19,21H,9-16H2,1-8H3/t17-,18+,19+/m1/s1
InChIKeyHJXHDGFDONFHDK-QYZOEREBSA-N
XLogP5.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(methoxymethoxy)undecan-1-ol
CID 57326346
(2R,4R)-8-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)octan-2-ol
CID 101928703
(3s,4s)-3-[t-Butyl(dimethyl)silyloxy]-4-methyldecan-1-ol
CID 129747570
(5s,7s,9r)-9,13,13,14,14-Pentamethyl-5-propyl-2,4,12-trioxa-13-silapentadecan-7-ol
CID 129747827
(2R,3S,4S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863684
(2R,3R,4R)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863685
(2R,3S,4S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863689
(2R,3R,4R)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]-1-tri(propan-2-yl)silyloxypentan-3-ol
CID 134863691
(2R,3R,4R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-5-methylnonane-1,2-diol
CID 135016309
(2S)-2-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-4-[hydroxy(dimethyl)silyl]-4-methylpentan-1-ol
CID 68320205
(7S,8S,10R)-8-[tert-butyl(dimethyl)silyl]oxy-7-methylhenicosan-10-ol
CID 88692618
(3R,4R,5S,6R,9S,10S,12S)-12-[tert-butyl(dimethyl)silyl]oxy-4,10-dimethoxy-3,5,9,13-tetramethyltetradecan-6-ol
CID 158214016

Frequently Asked Questions

What is the IUPAC name of (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol?
The IUPAC name of (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol (CID 135015254) is (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol.
What is the SMILES notation for (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol?
The canonical SMILES for (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol is CCC[C@@H](C[C@H](CC[C@@H](C)CCO)O[Si](C)(C)C(C)(C)C)OCOC.
What is the InChIKey of (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol?
The InChIKey is HJXHDGFDONFHDK-QYZOEREBSA-N. The full InChI is InChI=1S/C20H44O4Si/c1-9-10-18(23-16-22-6)15-19(12-11-17(2)13-14-21)24-25(7,8)20(3,4)5/h17-19,21H,9-16H2,1-8H3/t17-,18+,19+/m1/s1.
What are the key properties of (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol?
(3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol has a molecular weight of 376.65 g/mol, XLogP of 5.35, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,8S)-6-[tert-butyl(dimethyl)silyl]oxy-8-(methoxymethoxy)-3-methylundecan-1-ol is sourced from PubChem (CID 135015254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).