(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate

C10H18O5 — CID 67894082

IUPAC(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCC(C)C1(OC(=O)O)COC(C)(C)OC1
InChIInChI=1S/C10H18O5/c1-7(2)10(15-8(11)12)5-13-9(3,4)14-6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyQNPYABNPYUYDEH-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.86
Rot. Bonds2

About (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate

(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate (PubChem CID 67894082) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
PubChem CID67894082
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCC(C)C1(OC(=O)O)COC(C)(C)OC1
InChIInChI=1S/C10H18O5/c1-7(2)10(15-8(11)12)5-13-9(3,4)14-6-10/h7H,5-6H2,1-4H3,(H,11,12)
InChIKeyQNPYABNPYUYDEH-UHFFFAOYSA-N
XLogP1.86
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate?
The IUPAC name of (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate (CID 67894082) is (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate.
What is the SMILES notation for (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate?
The canonical SMILES for (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate is CC(C)C1(OC(=O)O)COC(C)(C)OC1.
What is the InChIKey of (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate?
The InChIKey is QNPYABNPYUYDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-7(2)10(15-8(11)12)5-13-9(3,4)14-6-10/h7H,5-6H2,1-4H3,(H,11,12).
What are the key properties of (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate?
(2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate has a molecular weight of 218.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-propan-2-yl-1,3-dioxan-5-yl) hydrogen carbonate is sourced from PubChem (CID 67894082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).