1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol

C27H38O6Si — CID 59483188

IUPAC1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C27H38O6Si/c1-19(28)27(23(29-7)22-24(33-27)32-26(5,6)31-22)18-30-34(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24,28H,18H2,1-7H3/t19?,22-,23+,24+,27+/m1/s1
InChIKeyRFPAHKXPTIUWLF-MDYKFODSSA-N
MW486.68 g/mol
LogP3.21
Rot. Bonds7

About 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol

1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol (PubChem CID 59483188) has the molecular formula C27H38O6Si and a molecular weight of 486.68 g/mol. Its IUPAC name is 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol.

Molecular Properties

Compound Name1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
PubChem CID59483188
Molecular FormulaC27H38O6Si
Molecular Weight486.68 g/mol
Exact Mass486.24
IUPAC Name1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol
SMILESCO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O
InChIInChI=1S/C27H38O6Si/c1-19(28)27(23(29-7)22-24(33-27)32-26(5,6)31-22)18-30-34(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24,28H,18H2,1-7H3/t19?,22-,23+,24+,27+/m1/s1
InChIKeyRFPAHKXPTIUWLF-MDYKFODSSA-N
XLogP3.21
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.68
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol?
The IUPAC name of 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol (CID 59483188) is 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol.
What is the SMILES notation for 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol?
The canonical SMILES for 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol is CO[C@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@]1(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C)O.
What is the InChIKey of 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol?
The InChIKey is RFPAHKXPTIUWLF-MDYKFODSSA-N. The full InChI is InChI=1S/C27H38O6Si/c1-19(28)27(23(29-7)22-24(33-27)32-26(5,6)31-22)18-30-34(25(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-17,19,22-24,28H,18H2,1-7H3/t19?,22-,23+,24+,27+/m1/s1.
What are the key properties of 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol?
1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol has a molecular weight of 486.68 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-methoxy-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]ethanol is sourced from PubChem (CID 59483188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).