[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol

C18H36O5Si — CID 11199206

IUPAC[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O2)O1
InChIInChI=1S/C18H36O5Si/c1-16(2,3)24(7,8)23-13-9-10-18(6,21-14(13)11-19)15-12-20-17(4,5)22-15/h13-15,19H,9-12H2,1-8H3/t13-,14+,15+,18-/m0/s1
InChIKeyXZFHWDXMMDWUOL-BORJPKMPSA-N
MW360.57 g/mol
LogP3.46
Rot. Bonds4

About [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol

[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol (PubChem CID 11199206) has the molecular formula C18H36O5Si and a molecular weight of 360.57 g/mol. Its IUPAC name is [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol
PubChem CID11199206
Molecular FormulaC18H36O5Si
Molecular Weight360.57 g/mol
Exact Mass360.23
IUPAC Name[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol
SMILESCC1(C)OC[C@H]([C@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O2)O1
InChIInChI=1S/C18H36O5Si/c1-16(2,3)24(7,8)23-13-9-10-18(6,21-14(13)11-19)15-12-20-17(4,5)22-15/h13-15,19H,9-12H2,1-8H3/t13-,14+,15+,18-/m0/s1
InChIKeyXZFHWDXMMDWUOL-BORJPKMPSA-N
XLogP3.46
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.57
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol?
The IUPAC name of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol (CID 11199206) is [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol?
The canonical SMILES for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol is CC1(C)OC[C@H]([C@]2(C)CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O2)O1.
What is the InChIKey of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol?
The InChIKey is XZFHWDXMMDWUOL-BORJPKMPSA-N. The full InChI is InChI=1S/C18H36O5Si/c1-16(2,3)24(7,8)23-13-9-10-18(6,21-14(13)11-19)15-12-20-17(4,5)22-15/h13-15,19H,9-12H2,1-8H3/t13-,14+,15+,18-/m0/s1.
What are the key properties of [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol?
[(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol has a molecular weight of 360.57 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,6S)-3-[tert-butyl(dimethyl)silyl]oxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methyloxan-2-yl]methanol is sourced from PubChem (CID 11199206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).