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

C27H56O4Si — CID 58429873

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(30-27(5,6)29-23)24(22-28)31-32(7,8)26(2,3)4/h23-25,28H,9-22H2,1-8H3/t23-,24+,25-/m1/s1
InChIKeyMAEYHPGFWAGOLR-DSNGMDLFSA-N
MW472.83 g/mol
LogP7.98
Rot. Bonds17

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

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 58429873) has the molecular formula C27H56O4Si and a molecular weight of 472.83 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol
PubChem CID58429873
Molecular FormulaC27H56O4Si
Molecular Weight472.83 g/mol
Exact Mass472.39
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(30-27(5,6)29-23)24(22-28)31-32(7,8)26(2,3)4/h23-25,28H,9-22H2,1-8H3/t23-,24+,25-/m1/s1
InChIKeyMAEYHPGFWAGOLR-DSNGMDLFSA-N
XLogP7.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.83
LogP ≤ 57.98
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol (CID 58429873) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol is CCCCCCCCCCCCCC[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 (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is MAEYHPGFWAGOLR-DSNGMDLFSA-N. The full InChI is InChI=1S/C27H56O4Si/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-23-25(30-27(5,6)29-23)24(22-28)31-32(7,8)26(2,3)4/h23-25,28H,9-22H2,1-8H3/t23-,24+,25-/m1/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 472.83 g/mol, XLogP of 7.98, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 58429873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).