1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate

C15H26O9 — CID 157199464

IUPAC1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate
SMILESCCOC(=O)OC1COCOC1.CCOC(=O)OCC1CCCO1
InChIInChI=1S/C8H14O4.C7H12O5/c1-2-10-8(9)12-6-7-4-3-5-11-7;1-2-11-7(8)12-6-3-9-5-10-4-6/h7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyAQQAEHLFVLSKAC-UHFFFAOYSA-N
MW350.36 g/mol
LogP1.87
Rot. Bonds5

About 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate

1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate (PubChem CID 157199464) has the molecular formula C15H26O9 and a molecular weight of 350.36 g/mol. Its IUPAC name is 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate.

Molecular Properties

Compound Name1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate
PubChem CID157199464
Molecular FormulaC15H26O9
Molecular Weight350.36 g/mol
Exact Mass350.16
IUPAC Name1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate
SMILESCCOC(=O)OC1COCOC1.CCOC(=O)OCC1CCCO1
InChIInChI=1S/C8H14O4.C7H12O5/c1-2-10-8(9)12-6-7-4-3-5-11-7;1-2-11-7(8)12-6-3-9-5-10-4-6/h7H,2-6H2,1H3;6H,2-5H2,1H3
InChIKeyAQQAEHLFVLSKAC-UHFFFAOYSA-N
XLogP1.87
TPSA98.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

hexyl oxan-2-ylmethyl carbonate
CID 67045710
[(2R)-oxolan-2-yl]methyl propanoate
CID 36691172
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
diethyl carbonate;2-methyloxolane
CID 174662331
3-O-(1,3-dioxan-5-yl) 1-O-ethyl propanedioate
CID 141453669
oxolan-2-ylmethyl 2-aminopropanoate
CID 61279087
2-oxo-2-(oxolan-2-ylmethoxy)acetic acid
CID 154107225
oxolan-2-ylmethyl 2-aminopropanoate;hydrochloride
CID 139215530
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
[(2S)-oxolan-2-yl]methyl 2-ethylsulfonyloxypropanoate
CID 88611358
ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
ethyl 2-hydroxy-3-(oxolan-2-yl)propanoate
CID 11788721

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate?
The IUPAC name of 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate (CID 157199464) is 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate.
What is the SMILES notation for 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate?
The canonical SMILES for 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate is CCOC(=O)OC1COCOC1.CCOC(=O)OCC1CCCO1.
What is the InChIKey of 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate?
The InChIKey is AQQAEHLFVLSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.C7H12O5/c1-2-10-8(9)12-6-7-4-3-5-11-7;1-2-11-7(8)12-6-3-9-5-10-4-6/h7H,2-6H2,1H3;6H,2-5H2,1H3.
What are the key properties of 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate?
1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate has a molecular weight of 350.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxan-5-yl ethyl carbonate;ethyl oxolan-2-ylmethyl carbonate is sourced from PubChem (CID 157199464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).