(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol

C17H32O4Si — CID 10687754

IUPAC(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1[C@H](O)C1=CCCCO1
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)21-14-10-8-12-20-16(14)15(18)13-9-6-7-11-19-13/h9,14-16,18H,6-8,10-12H2,1-5H3/t14-,15+,16-/m0/s1
InChIKeyOHAXRKQCFCAEMS-XHSDSOJGSA-N
MW328.53 g/mol
LogP3.61
Rot. Bonds4

About (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol

(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 10687754) has the molecular formula C17H32O4Si and a molecular weight of 328.53 g/mol. Its IUPAC name is (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID10687754
Molecular FormulaC17H32O4Si
Molecular Weight328.53 g/mol
Exact Mass328.21
IUPAC Name(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1[C@H](O)C1=CCCCO1
InChIInChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)21-14-10-8-12-20-16(14)15(18)13-9-6-7-11-19-13/h9,14-16,18H,6-8,10-12H2,1-5H3/t14-,15+,16-/m0/s1
InChIKeyOHAXRKQCFCAEMS-XHSDSOJGSA-N
XLogP3.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.53
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]but-2-en-1-ol
CID 44397485
(2R,3R,4aS,5R,8S,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-5-ol
CID 44597666
(2R,3R,4aS,5R,8R,8aR)-8-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)-2,3-dimethoxy-2,3-dimethyl-4a,5,8,8a-tetrahydro-1,4-benzodioxin-5-ol
CID 46180425
(4aS,6S,7S,8Z,10aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3,4,4a,6,7,10,10a-octahydropyrano[3,2-b]oxocin-7-ol
CID 12186177
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-2-en-1-ol
CID 101349439
(3S,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E)-1-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-(3-hydroxypropyl)oxan-3-ol
CID 173756638
(R)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 10520352
(Z)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-4-ene-1,2-diol
CID 10969134
(2S,3R,6S)-6-[(1S)-3-[tert-butyl(dimethyl)silyl]oxy-1-hydroxypropyl]-2-[(E)-dec-1-enyl]oxan-3-ol
CID 11037372
(E)-5-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]pent-2-en-1-ol
CID 11055705
(3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-1-en-3-ol
CID 12186175
(3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,3S)-2-prop-2-enyloxan-3-yl]oxypent-1-en-3-ol
CID 12186176

Frequently Asked Questions

What is the IUPAC name of (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 10687754) is (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1[C@H](O)C1=CCCCO1.
What is the InChIKey of (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is OHAXRKQCFCAEMS-XHSDSOJGSA-N. The full InChI is InChI=1S/C17H32O4Si/c1-17(2,3)22(4,5)21-14-10-8-12-20-16(14)15(18)13-9-6-7-11-19-13/h9,14-16,18H,6-8,10-12H2,1-5H3/t14-,15+,16-/m0/s1.
What are the key properties of (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol?
(S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 328.53 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]-(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 10687754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).