4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane

C43H92O5Si4 — CID 11308824

IUPAC4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane
SMILESCC(C)[Si](OC[C@H]1OC(CCCCO[Si](C)(C)C(C)(C)C)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C43H92O5Si4/c1-30(2)50(31(3)4,32(5)6)45-29-41-42(48-52(36(13)14,37(15)16)38(17)18)40(47-51(33(7)8,34(9)10)35(11)12)28-39(46-41)26-24-25-27-44-49(22,23)43(19,20)21/h28,30-38,40-42H,24-27,29H2,1-23H3/t40-,41-,42+/m1/s1
InChIKeyMFRLAEFETDOFJR-UJYRSYRGSA-N
MW801.55 g/mol
LogP14.77
Rot. Bonds22

About 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane

4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane (PubChem CID 11308824) has the molecular formula C43H92O5Si4 and a molecular weight of 801.55 g/mol. Its IUPAC name is 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane
PubChem CID11308824
Molecular FormulaC43H92O5Si4
Molecular Weight801.55 g/mol
Exact Mass800.60
IUPAC Name4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane
SMILESCC(C)[Si](OC[C@H]1OC(CCCCO[Si](C)(C)C(C)(C)C)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C43H92O5Si4/c1-30(2)50(31(3)4,32(5)6)45-29-41-42(48-52(36(13)14,37(15)16)38(17)18)40(47-51(33(7)8,34(9)10)35(11)12)28-39(46-41)26-24-25-27-44-49(22,23)43(19,20)21/h28,30-38,40-42H,24-27,29H2,1-23H3/t40-,41-,42+/m1/s1
InChIKeyMFRLAEFETDOFJR-UJYRSYRGSA-N
XLogP14.77
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds22
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.55
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tri-O-(tert-butyldimethylsilyl)-D-glucal
CID 10648718
1,5-Anhydro-2-deoxy-3,4,6-tris-O-(triisopropylsilyl)-D-arabino-hex-1-enitol
CID 11181065
[(2R,3S,4R,5Z)-2-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-4-[tert-butyl(dimethyl)silyl]oxy-5-prop-2-enylideneoxolan-3-yl]oxy-tert-butyl-dimethylsilane
CID 10952445
3,4,6-tri-O-(t-butyldimethylsilyl)-1-(tributylstannyl)-d-glucal
CID 14559079
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 101106917
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930554
[(2R,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-prop-2-enyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 134930722
[(2R,3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-6-tributylstannyl-3,4-dihydro-2H-pyran-2-yl]methoxy-tri(propan-2-yl)silane
CID 134974922
[(3S,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 135022446
[(3S,4R)-3,4-bis(triethylsilyloxy)-3,4-dihydro-2H-pyran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 162414638
Tri-O-(tert-butyldimethylsilyl)-D-galactal
CID 14100924
2,6-Anhydro-5-deoxy-1,3,4-tris-O-(triisopropylsilyl)-D-arabino-hex-5-enitol
CID 99772954

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane?
The IUPAC name of 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane (CID 11308824) is 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane is CC(C)[Si](OC[C@H]1OC(CCCCO[Si](C)(C)C(C)(C)C)=C[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane?
The InChIKey is MFRLAEFETDOFJR-UJYRSYRGSA-N. The full InChI is InChI=1S/C43H92O5Si4/c1-30(2)50(31(3)4,32(5)6)45-29-41-42(48-52(36(13)14,37(15)16)38(17)18)40(47-51(33(7)8,34(9)10)35(11)12)28-39(46-41)26-24-25-27-44-49(22,23)43(19,20)21/h28,30-38,40-42H,24-27,29H2,1-23H3/t40-,41-,42+/m1/s1.
What are the key properties of 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane?
4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane has a molecular weight of 801.55 g/mol, XLogP of 14.77, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3R,4R)-3,4-bis[tri(propan-2-yl)silyloxy]-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-6-yl]butoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 11308824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).