(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate

C10H18O5 — CID 67894107

IUPAC(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCCCC1OCC(CC)(OC(=O)O)CO1
InChIInChI=1S/C10H18O5/c1-3-5-8-13-6-10(4-2,7-14-8)15-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyDKCFSVXPWCHNLN-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.00
Rot. Bonds4

About (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate

(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate (PubChem CID 67894107) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate
PubChem CID67894107
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCCCC1OCC(CC)(OC(=O)O)CO1
InChIInChI=1S/C10H18O5/c1-3-5-8-13-6-10(4-2,7-14-8)15-9(11)12/h8H,3-7H2,1-2H3,(H,11,12)
InChIKeyDKCFSVXPWCHNLN-UHFFFAOYSA-N
XLogP2.00
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
CID 139206521
(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
CID 139206522
2-(4,4-Dimethyl-1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
CID 283984
(2,2,5-Trimethyl-1,3-dioxan-5-yl) hydrogen carbonate
CID 17883632
(5-Carboxyoxy-2-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 23199359
(5-Ethyl-2,5-dimethyl-1,4-dioxan-2-yl)methyl methyl carbonate
CID 59167144
2-(1,3-Dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
CID 67111042
(2,2-Dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
CID 67894082
(5-Methyl-1,3-dioxan-5-yl) hydrogen carbonate
CID 67894101
(5-Ethyl-1,3-dioxan-5-yl) hydrogen carbonate
CID 67894102
[2-(2-Methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate
CID 68521264
[2-(2-Methoxyethyl)-5-methyl-1,3-dioxan-5-yl] hydrogen carbonate
CID 68522269

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate?
The IUPAC name of (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate (CID 67894107) is (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate.
What is the SMILES notation for (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate?
The canonical SMILES for (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate is CCCC1OCC(CC)(OC(=O)O)CO1.
What is the InChIKey of (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate?
The InChIKey is DKCFSVXPWCHNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-3-5-8-13-6-10(4-2,7-14-8)15-9(11)12/h8H,3-7H2,1-2H3,(H,11,12).
What are the key properties of (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate?
(5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate has a molecular weight of 218.25 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-propyl-1,3-dioxan-5-yl) hydrogen carbonate is sourced from PubChem (CID 67894107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).