[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate

C14H24O6 — CID 10880728

IUPAC[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC2(C[C@@H](CO)O1)OCC(C)(C)CO2
InChIInChI=1S/C14H24O6/c1-10(16)17-7-12-5-14(4-11(6-15)20-12)18-8-13(2,3)9-19-14/h11-12,15H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyVWQUNAXOZJUBCG-NWDGAFQWSA-N
MW288.34 g/mol
LogP0.86
Rot. Bonds3

About [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate

[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate (PubChem CID 10880728) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate.

Molecular Properties

Compound Name[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate
PubChem CID10880728
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate
SMILESCC(=O)OC[C@H]1CC2(C[C@@H](CO)O1)OCC(C)(C)CO2
InChIInChI=1S/C14H24O6/c1-10(16)17-7-12-5-14(4-11(6-15)20-12)18-8-13(2,3)9-19-14/h11-12,15H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyVWQUNAXOZJUBCG-NWDGAFQWSA-N
XLogP0.86
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate with MolForge

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Related Compounds

[(2S)-4-hydroxyoxetan-2-yl]methyl acetate
CID 67977655
(4-hydroxyoxetan-2-yl)methyl acetate
CID 67977653
[(2S,4R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)oxan-2-yl]methyl acetate
CID 10925204
[(2R,3S)-3-(hydroxymethyl)oxiran-2-yl]methyl acetate
CID 11062516
(3-hydroxy-4,4-dimethyl-1,3-oxazinan-6-yl)methyl acetate
CID 11745732
5,8-dioxaspiro[3.4]octan-7-ylmethyl acetate
CID 54401844
[(3aS,5S,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl acetate
CID 90339201
tert-butyl 2-[(4R,6S)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate;tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
CID 158405123
2-[(4R)-6-(acetyloxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 57485207
(5,6-dimethyloxan-2-yl)methyl acetate
CID 164565040
[(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[(5,5-dimethyl-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl)sulfanyl]oxan-2-yl]methyl acetate
CID 11352770
(5-formylfuran-2-yl)methyl acetate;[5-(hydroxymethyl)oxolan-2-yl]methyl acetate;molecular hydrogen
CID 158130539

Frequently Asked Questions

What is the IUPAC name of [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate?
The IUPAC name of [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate (CID 10880728) is [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate.
What is the SMILES notation for [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate?
The canonical SMILES for [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate is CC(=O)OC[C@H]1CC2(C[C@@H](CO)O1)OCC(C)(C)CO2.
What is the InChIKey of [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate?
The InChIKey is VWQUNAXOZJUBCG-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24O6/c1-10(16)17-7-12-5-14(4-11(6-15)20-12)18-8-13(2,3)9-19-14/h11-12,15H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate?
[(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate has a molecular weight of 288.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S,10R)-8-(hydroxymethyl)-3,3-dimethyl-1,5,9-trioxaspiro[5.5]undecan-10-yl]methyl acetate is sourced from PubChem (CID 10880728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).