(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol

C18H34O6Si — CID 135012398

IUPAC(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O6Si/c1-11(10-21-25(8,9)17(2,3)4)12(19)13-14-15(16(20-7)22-13)24-18(5,6)23-14/h12-16,19H,1,10H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyBLYXMTYAIUYOQJ-QRJUGERDSA-N
MW374.55 g/mol
LogP2.82
Rot. Bonds6

About (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol

(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol (PubChem CID 135012398) has the molecular formula C18H34O6Si and a molecular weight of 374.55 g/mol. Its IUPAC name is (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol
PubChem CID135012398
Molecular FormulaC18H34O6Si
Molecular Weight374.55 g/mol
Exact Mass374.21
IUPAC Name(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol
SMILESC=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H34O6Si/c1-11(10-21-25(8,9)17(2,3)4)12(19)13-14-15(16(20-7)22-13)24-18(5,6)23-14/h12-16,19H,1,10H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1
InChIKeyBLYXMTYAIUYOQJ-QRJUGERDSA-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'}

Analyze (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol with MolForge

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Related Compounds

(3aR,6S,6aS)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 10805239
1-[(3aR,5R,6S,6aR)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-methylidenepropane-1,3-diol
CID 102156389
(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylidenepropane-1,3-diol
CID 102156393
(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-methylidenepropane-1,3-diol
CID 102156394
[(3aR,4R,6R,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931288
[(3aR,4R,6S,6aS)-2,2-dimethyl-6-(2-methylprop-2-enyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methoxy-tert-butyl-dimethylsilane
CID 134931378
(1R)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol
CID 135012400
(2R)-2-[(3aR,5S,6S,6aR)-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 22979813
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
2-[(3aR,5S,6R)-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 89076387
(3aR,5R,6R,6aR)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-6-prop-1-en-2-yl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 173839074
(2R)-5-[[(2S)-5-[2-[(2R)-4-hydroxy-2-methoxy-5-triethylsilyloxyoxolan-2-yl]ethyl]-3-methylideneoxolan-2-yl]methyl]hex-5-ene-2,4-diol
CID 173876560

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol?
The IUPAC name of (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol (CID 135012398) is (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol.
What is the SMILES notation for (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol?
The canonical SMILES for (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol is C=C(CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[C@H](OC)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol?
The InChIKey is BLYXMTYAIUYOQJ-QRJUGERDSA-N. The full InChI is InChI=1S/C18H34O6Si/c1-11(10-21-25(8,9)17(2,3)4)12(19)13-14-15(16(20-7)22-13)24-18(5,6)23-14/h12-16,19H,1,10H2,2-9H3/t12-,13+,14-,15-,16-/m0/s1.
What are the key properties of (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol?
(1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-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 (1S)-1-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]prop-2-en-1-ol is sourced from PubChem (CID 135012398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).