(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate

C13H24O5 — CID 159559066

IUPAC(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate
SMILESCOC1(C)C(C)(COC(=O)O)OC(C)(C)C1(C)C
InChIInChI=1S/C13H24O5/c1-10(2)11(3,4)18-12(5,8-17-9(14)15)13(10,6)16-7/h8H2,1-7H3,(H,14,15)
InChIKeyMGJHBGQOALWCCR-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.68
Rot. Bonds3

About (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate

(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate (PubChem CID 159559066) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate.

Molecular Properties

Compound Name(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate
PubChem CID159559066
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate
SMILESCOC1(C)C(C)(COC(=O)O)OC(C)(C)C1(C)C
InChIInChI=1S/C13H24O5/c1-10(2)11(3,4)18-12(5,8-17-9(14)15)13(10,6)16-7/h8H2,1-7H3,(H,14,15)
InChIKeyMGJHBGQOALWCCR-UHFFFAOYSA-N
XLogP2.68
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate?
The IUPAC name of (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate (CID 159559066) is (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate.
What is the SMILES notation for (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate?
The canonical SMILES for (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate is COC1(C)C(C)(COC(=O)O)OC(C)(C)C1(C)C.
What is the InChIKey of (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate?
The InChIKey is MGJHBGQOALWCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-10(2)11(3,4)18-12(5,8-17-9(14)15)13(10,6)16-7/h8H2,1-7H3,(H,14,15).
What are the key properties of (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate?
(3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate has a molecular weight of 260.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2,3,4,4,5,5-hexamethyloxolan-2-yl)methyl hydrogen carbonate is sourced from PubChem (CID 159559066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).