carbonic acid;oxane

C11H22O5 — CID 70293219

IUPACcarbonic acid;oxane
SMILESC1CCOCC1.C1CCOCC1.O=C(O)O
InChIInChI=1S/2C5H10O.CH2O3/c2*1-2-4-6-5-3-1;2-1(3)4/h2*1-5H2;(H2,2,3,4)
InChIKeyGPXRAPSOHMBRQQ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.60
Rot. Bonds

About carbonic acid;oxane

carbonic acid;oxane (PubChem CID 70293219) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is carbonic acid;oxane.

Molecular Properties

Compound Namecarbonic acid;oxane
PubChem CID70293219
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namecarbonic acid;oxane
SMILESC1CCOCC1.C1CCOCC1.O=C(O)O
InChIInChI=1S/2C5H10O.CH2O3/c2*1-2-4-6-5-3-1;2-1(3)4/h2*1-5H2;(H2,2,3,4)
InChIKeyGPXRAPSOHMBRQQ-UHFFFAOYSA-N
XLogP2.60
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;oxolane
CID 68584797
carbonochloridic acid;oxane
CID 86597623
oxolane;propanoic acid
CID 162183532
butanedioic acid;oxolane
CID 70210247
cyclobutane;oxolane
CID 158733546
oxacyclotetracosane
CID 57108486
oxane;oxepane;oxocane;oxolane
CID 159745968
cycloheptane;oxolane
CID 23033083
oxolane;oxonane
CID 159283889
oxacycloheptadecane
CID 22011753
cyclohexane;oxane
CID 20574508
oxolane;propan-2-one
CID 22559816

Frequently Asked Questions

What is the IUPAC name of carbonic acid;oxane?
The IUPAC name of carbonic acid;oxane (CID 70293219) is carbonic acid;oxane.
What is the SMILES notation for carbonic acid;oxane?
The canonical SMILES for carbonic acid;oxane is C1CCOCC1.C1CCOCC1.O=C(O)O.
What is the InChIKey of carbonic acid;oxane?
The InChIKey is GPXRAPSOHMBRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O.CH2O3/c2*1-2-4-6-5-3-1;2-1(3)4/h2*1-5H2;(H2,2,3,4).
What are the key properties of carbonic acid;oxane?
carbonic acid;oxane has a molecular weight of 234.29 g/mol, XLogP of 2.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;oxane is sourced from PubChem (CID 70293219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).