[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

C17H34O4Si — CID 59917799

IUPAC[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC2(CCC[C@H](CO)O2)O1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)22(4,5)19-13-15-9-7-11-17(21-15)10-6-8-14(12-18)20-17/h14-15,18H,6-13H2,1-5H3/t14-,15?,17?/m1/s1
InChIKeyIMJAOOLOMRCDLG-HPUBIQBYSA-N
MW330.54 g/mol
LogP3.84
Rot. Bonds4

About [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol

[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (PubChem CID 59917799) has the molecular formula C17H34O4Si and a molecular weight of 330.54 g/mol. Its IUPAC name is [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.

Molecular Properties

Compound Name[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
PubChem CID59917799
Molecular FormulaC17H34O4Si
Molecular Weight330.54 g/mol
Exact Mass330.22
IUPAC Name[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCC1CCCC2(CCC[C@H](CO)O2)O1
InChIInChI=1S/C17H34O4Si/c1-16(2,3)22(4,5)19-13-15-9-7-11-17(21-15)10-6-8-14(12-18)20-17/h14-15,18H,6-13H2,1-5H3/t14-,15?,17?/m1/s1
InChIKeyIMJAOOLOMRCDLG-HPUBIQBYSA-N
XLogP3.84
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.84
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

US11241393, Sil 3
CID 59502263
US11241393, Sil 2
CID 59502273
[(2R,3R,4R,6S,8R,9R,10R,11S)-4,10-bis[[tert-butyl(dimethyl)silyl]oxy]-3,9,11-trimethyl-2-propan-2-yl-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 10962484
[(4R,6R)-6-[[(4S,6S)-6-[[(4R,6R)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 11060650
[(2S,3R,6S,8R,9S)-3-butyl-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-9-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]methanol
CID 11214911
2-[(4S,6R)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]ethanol
CID 11404374
(4S,5R)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxypentadecyl]-2,2-dimethyl-1,3-dioxan-5-ol
CID 25022950
[(4s,5s)-5-[(s)-3-(t-Butyldimethylsilyloxy)butyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 129843188
(2S,3S)-2-(tetrahydro-2H-pyran-2-yloxy)-3-(triisopropylsiloxy)decanol
CID 132427758
[(4S,6S)-6-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxan-4-yl]methanol
CID 134856916
1-[(3aS,4S,7S,7aS)-7-[tert-butyl(dimethyl)silyl]oxyspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,1'-cyclohexane]-4-yl]propan-2-ol
CID 134930956
tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane
CID 134937000

Frequently Asked Questions

What is the IUPAC name of [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The IUPAC name of [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol (CID 59917799) is [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol.
What is the SMILES notation for [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The canonical SMILES for [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is CC(C)(C)[Si](C)(C)OCC1CCCC2(CCC[C@H](CO)O2)O1.
What is the InChIKey of [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
The InChIKey is IMJAOOLOMRCDLG-HPUBIQBYSA-N. The full InChI is InChI=1S/C17H34O4Si/c1-16(2,3)22(4,5)19-13-15-9-7-11-17(21-15)10-6-8-14(12-18)20-17/h14-15,18H,6-13H2,1-5H3/t14-,15?,17?/m1/s1.
What are the key properties of [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol?
[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol has a molecular weight of 330.54 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol is sourced from PubChem (CID 59917799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).