[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate

C12H18O8 — CID 538356

IUPAC[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate
SMILESCC(=O)OC1COCOC1C1OCOC2COCOC21
InChIInChI=1S/C12H18O8/c1-7(13)20-9-3-15-5-18-11(9)12-10-8(16-6-19-12)2-14-4-17-10/h8-12H,2-6H2,1H3
InChIKeyHKHSRLKEEGOKAC-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.59
Rot. Bonds2

About [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate

[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate (PubChem CID 538356) has the molecular formula C12H18O8 and a molecular weight of 290.27 g/mol. Its IUPAC name is [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate.

Molecular Properties

Compound Name[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate
PubChem CID538356
Molecular FormulaC12H18O8
Molecular Weight290.27 g/mol
Exact Mass290.10
IUPAC Name[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate
SMILESCC(=O)OC1COCOC1C1OCOC2COCOC21
InChIInChI=1S/C12H18O8/c1-7(13)20-9-3-15-5-18-11(9)12-10-8(16-6-19-12)2-14-4-17-10/h8-12H,2-6H2,1H3
InChIKeyHKHSRLKEEGOKAC-UHFFFAOYSA-N
XLogP-0.59
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(4S,5R)-4-[(4R,5S)-5-acetyloxy-1,3-dioxan-4-yl]-1,3-dioxan-5-yl] acetate
CID 121015837
[(3S,3aR,6R,6aR)-6-carbamoyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 118973915
[(3S,3aR,6R,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 11183884
[(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 22862650
[(3S,5S)-5-acetyloxy-4-methoxyoxan-3-yl] acetate
CID 100966636
(4-hydroxyoxolan-3-yl) acetate
CID 14785283
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
[(3R,3aR,6S,6aR)-3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (Z)-3-aminobut-2-enoate
CID 70442744
[(3R,3aR,6S,6aS)-6-(trifluoromethylsulfonyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] acetate
CID 101489532
[(4R,4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl]methanol
CID 130978557
[(3R,4S,5S)-4-acetyloxy-5-methoxyoxan-3-yl] acetate
CID 6428305
[(3R,3aR,6R,6aR)-3-acetyloxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] 4-chloro-4-oxobutanoate
CID 144610416

Frequently Asked Questions

What is the IUPAC name of [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate?
The IUPAC name of [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate (CID 538356) is [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate.
What is the SMILES notation for [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate?
The canonical SMILES for [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate is CC(=O)OC1COCOC1C1OCOC2COCOC21.
What is the InChIKey of [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate?
The InChIKey is HKHSRLKEEGOKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O8/c1-7(13)20-9-3-15-5-18-11(9)12-10-8(16-6-19-12)2-14-4-17-10/h8-12H,2-6H2,1H3.
What are the key properties of [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate?
[4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate has a molecular weight of 290.27 g/mol, XLogP of -0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-1,3-dioxan-5-yl] acetate is sourced from PubChem (CID 538356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).