carbonic acid;oxolane

C9H18O5 — CID 68584797

IUPACcarbonic acid;oxolane
SMILESC1CCOC1.C1CCOC1.O=C(O)O
InChIInChI=1S/2C4H8O.CH2O3/c2*1-2-4-5-3-1;2-1(3)4/h2*1-4H2;(H2,2,3,4)
InChIKeyCCMDJLNLHUGPHS-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.82
Rot. Bonds

About carbonic acid;oxolane

carbonic acid;oxolane (PubChem CID 68584797) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is carbonic acid;oxolane.

Molecular Properties

Compound Namecarbonic acid;oxolane
PubChem CID68584797
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Namecarbonic acid;oxolane
SMILESC1CCOC1.C1CCOC1.O=C(O)O
InChIInChI=1S/2C4H8O.CH2O3/c2*1-2-4-5-3-1;2-1(3)4/h2*1-4H2;(H2,2,3,4)
InChIKeyCCMDJLNLHUGPHS-UHFFFAOYSA-N
XLogP1.82
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;oxane
CID 70293219
butanedioic acid;oxolane
CID 70210247
carbonochloridic acid;oxane
CID 86597623
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CID 22559816
2-hydroxyprop-2-enoic acid;oxolane
CID 174891216
1,6,11,16,21,26,31-heptaoxacyclopentatriacontane
CID 15446455
1,6,11,16,21,26,31,36,41,46-decaoxacyclopentacontane
CID 15446458
oxolane;propanoic acid
CID 162183532
formaldehyde;oxolane
CID 174849713
oxolane;palladium(2+);diacetate
CID 173243487
manganese;oxolane
CID 70504486
1,5,10,14-tetraoxacyclooctadecane
CID 57048709

Frequently Asked Questions

What is the IUPAC name of carbonic acid;oxolane?
The IUPAC name of carbonic acid;oxolane (CID 68584797) is carbonic acid;oxolane.
What is the SMILES notation for carbonic acid;oxolane?
The canonical SMILES for carbonic acid;oxolane is C1CCOC1.C1CCOC1.O=C(O)O.
What is the InChIKey of carbonic acid;oxolane?
The InChIKey is CCMDJLNLHUGPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H8O.CH2O3/c2*1-2-4-5-3-1;2-1(3)4/h2*1-4H2;(H2,2,3,4).
What are the key properties of carbonic acid;oxolane?
carbonic acid;oxolane has a molecular weight of 206.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;oxolane is sourced from PubChem (CID 68584797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).