(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C20H42O4Si — CID 53230768

IUPAC(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-9-10-11-12-13-14-16-18(23-20(5,6)22-16)17(15-21)24-25(7,8)19(2,3)4/h16-18,21H,9-15H2,1-8H3/t16-,17+,18-/m0/s1
InChIKeyMXRDZQLYWPKGOS-KSZLIROESA-N
MW374.64 g/mol
LogP5.25
Rot. Bonds10

About (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 53230768) has the molecular formula C20H42O4Si and a molecular weight of 374.64 g/mol. Its IUPAC name is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID53230768
Molecular FormulaC20H42O4Si
Molecular Weight374.64 g/mol
Exact Mass374.29
IUPAC Name(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H42O4Si/c1-9-10-11-12-13-14-16-18(23-20(5,6)22-16)17(15-21)24-25(7,8)19(2,3)4/h16-18,21H,9-15H2,1-8H3/t16-,17+,18-/m0/s1
InChIKeyMXRDZQLYWPKGOS-KSZLIROESA-N
XLogP5.25
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 55.25
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'}

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Related Compounds

(2S)-2-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[tert-butyl(dimethyl)silyl]oxyacetaldehyde
CID 11336490
(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butan-1-ol
CID 58962259
(2S)-2-azido-2-[(4S,5S)-5-[(1R,2S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]tetradecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 140682107
(1S)-1-[(4S,5R)-2,2-dimethyl-5-tetradec-7-ynyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 58429845
2,2-dimethyl-4,5-dioctyl-1,3-dioxolane
CID 18920475
[(1R)-1-[(4R,5S)-5-butyl-2,2-dimethyl-1,3-dioxolan-4-yl]-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-yl] prop-2-enoate
CID 177388433
(1R)-1-[(4R,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-yn-1-ol
CID 53230771
methyl (2R)-2-[(4R,5R)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetate
CID 53232195
2,2,2-trichloro-N-[(1R)-1-[(4S,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-2-hydroxyethyl]acetamide
CID 71812943
tert-butyl-[(1R)-1-[(4S,5S)-5-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-ynyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-ynoxy]-dimethylsilane
CID 11442711
tert-butyl-[[(4R,5R)-5-[(6R)-6-[tert-butyl(dimethyl)silyl]oxyheptyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 56600497
trimethyl (Z,3R)-3-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyoctyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyprop-1-ene-1,2,3-tricarboxylate
CID 67083311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 53230768) is (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CCCCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is MXRDZQLYWPKGOS-KSZLIROESA-N. The full InChI is InChI=1S/C20H42O4Si/c1-9-10-11-12-13-14-16-18(23-20(5,6)22-16)17(15-21)24-25(7,8)19(2,3)4/h16-18,21H,9-15H2,1-8H3/t16-,17+,18-/m0/s1.
What are the key properties of (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 374.64 g/mol, XLogP of 5.25, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4S,5S)-5-heptyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 53230768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).