butanedioic acid;oxolane

C8H14O5 — CID 70210247

IUPACbutanedioic acid;oxolane
SMILESC1CCOC1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C4H8O/c5-3(6)1-2-4(7)8;1-2-4-5-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyJOLYNDGSEGZKFW-UHFFFAOYSA-N
MW190.19 g/mol
LogP0.73
Rot. Bonds3

About butanedioic acid;oxolane

butanedioic acid;oxolane (PubChem CID 70210247) has the molecular formula C8H14O5 and a molecular weight of 190.19 g/mol. Its IUPAC name is butanedioic acid;oxolane.

Molecular Properties

Compound Namebutanedioic acid;oxolane
PubChem CID70210247
Molecular FormulaC8H14O5
Molecular Weight190.19 g/mol
Exact Mass190.08
IUPAC Namebutanedioic acid;oxolane
SMILESC1CCOC1.O=C(O)CCC(=O)O
InChIInChI=1S/C4H6O4.C4H8O/c5-3(6)1-2-4(7)8;1-2-4-5-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2
InChIKeyJOLYNDGSEGZKFW-UHFFFAOYSA-N
XLogP0.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

carbonic acid;oxolane
CID 68584797
oxolane;propanoic acid
CID 162183532
carbonic acid;oxane
CID 70293219
butanedioic acid;cyclobutane
CID 157277656
carbonochloridic acid;oxane
CID 86597623
butanoic acid;1,4-dioxane
CID 68820092
oxolane;propan-2-one
CID 22559816
butanedioic acid;2,2-dimethyloxasilinane
CID 174614210
2-hydroxyprop-2-enoic acid;oxolane
CID 174891216
oxane;3-phenylpropanoic acid
CID 175586375
azane;butanedioic acid
CID 87070561
butanedioic acid;hydrochloride
CID 87113713

Frequently Asked Questions

What is the IUPAC name of butanedioic acid;oxolane?
The IUPAC name of butanedioic acid;oxolane (CID 70210247) is butanedioic acid;oxolane.
What is the SMILES notation for butanedioic acid;oxolane?
The canonical SMILES for butanedioic acid;oxolane is C1CCOC1.O=C(O)CCC(=O)O.
What is the InChIKey of butanedioic acid;oxolane?
The InChIKey is JOLYNDGSEGZKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O4.C4H8O/c5-3(6)1-2-4(7)8;1-2-4-5-3-1/h1-2H2,(H,5,6)(H,7,8);1-4H2.
What are the key properties of butanedioic acid;oxolane?
butanedioic acid;oxolane has a molecular weight of 190.19 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butanedioic acid;oxolane is sourced from PubChem (CID 70210247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).