2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

C18H34O6Si — CID 59269880

IUPAC2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESC=CC(O)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]2OC(C)(C)OC2[C@H]1OC
InChIInChI=1S/C18H34O6Si/c1-10-18(19,11-21-25(8,9)16(2,3)4)14-12(20-7)13-15(22-14)24-17(5,6)23-13/h10,12-15,19H,1,11H2,2-9H3/t12-,13?,14-,15+,18?/m1/s1
InChIKeyQIVFSUYJMHYXFB-ILLDSPSKSA-N
MW374.55 g/mol
LogP2.82
Rot. Bonds6

About 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol

2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (PubChem CID 59269880) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.

Molecular Properties

Compound Name2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
PubChem CID59269880
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol
SMILESC=CC(O)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]2OC(C)(C)OC2[C@H]1OC
InChIInChI=1S/C18H34O6Si/c1-10-18(19,11-21-25(8,9)16(2,3)4)14-12(20-7)13-15(22-14)24-17(5,6)23-13/h10,12-15,19H,1,11H2,2-9H3/t12-,13?,14-,15+,18?/m1/s1
InChIKeyQIVFSUYJMHYXFB-ILLDSPSKSA-N
XLogP2.82
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The IUPAC name of 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol (CID 59269880) is 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol.
What is the SMILES notation for 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The canonical SMILES for 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is C=CC(O)(CO[Si](C)(C)C(C)(C)C)[C@@H]1O[C@H]2OC(C)(C)OC2[C@H]1OC.
What is the InChIKey of 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
The InChIKey is QIVFSUYJMHYXFB-ILLDSPSKSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-10-18(19,11-21-25(8,9)16(2,3)4)14-12(20-7)13-15(22-14)24-17(5,6)23-13/h10,12-15,19H,1,11H2,2-9H3/t12-,13?,14-,15+,18?/m1/s1.
What are the key properties of 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol?
2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol has a molecular weight of 374.55 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,5R,6S)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-ol is sourced from PubChem (CID 59269880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).