(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate

C6H10O5 — CID 67894101

IUPAC(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCC1(OC(=O)O)COCOC1
InChIInChI=1S/C6H10O5/c1-6(11-5(7)8)2-9-4-10-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyRLISUFCPNRIUEH-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.44
Rot. Bonds1

About (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate

(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate (PubChem CID 67894101) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate
PubChem CID67894101
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate
SMILESCC1(OC(=O)O)COCOC1
InChIInChI=1S/C6H10O5/c1-6(11-5(7)8)2-9-4-10-3-6/h2-4H2,1H3,(H,7,8)
InChIKeyRLISUFCPNRIUEH-UHFFFAOYSA-N
XLogP0.44
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate?
The IUPAC name of (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate (CID 67894101) is (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate.
What is the SMILES notation for (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate?
The canonical SMILES for (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate is CC1(OC(=O)O)COCOC1.
What is the InChIKey of (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate?
The InChIKey is RLISUFCPNRIUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O5/c1-6(11-5(7)8)2-9-4-10-3-6/h2-4H2,1H3,(H,7,8).
What are the key properties of (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate?
(5-methyl-1,3-dioxan-5-yl) hydrogen carbonate has a molecular weight of 162.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-dioxan-5-yl) hydrogen carbonate is sourced from PubChem (CID 67894101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).