CID 87067075

C5H8LiO4 — CID 87067075

IUPAC—
SMILESO=C(O)CCCC(=O)O.[Li]
InChIInChI=1S/C5H8O4.Li/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);
InChIKeyQAZFXRQBKPQRID-UHFFFAOYSA-N
MW139.06 g/mol
LogP-0.05
Rot. Bonds4

About CID 87067075

CID 87067075 (PubChem CID 87067075) has the molecular formula C5H8LiO4 and a molecular weight of 139.06 g/mol.

Molecular Properties

Compound NameCID 87067075
PubChem CID87067075
Molecular FormulaC5H8LiO4
Molecular Weight139.06 g/mol
Exact Mass139.06
IUPAC Name—
SMILESO=C(O)CCCC(=O)O.[Li]
InChIInChI=1S/C5H8O4.Li/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);
InChIKeyQAZFXRQBKPQRID-UHFFFAOYSA-N
XLogP-0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.06
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

erbium;pentanedioic acid
CID 87931794
azane;bis(pentanedioic acid)
CID 138524332
pentanedioic acid;stibane
CID 173344083
hydrazine;pentanedioic acid;dihydrate
CID 172730564
chloromethane;pentanedioic acid
CID 159659659
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of CID 87067075?
The IUPAC name of CID 87067075 (CID 87067075) is not available.
What is the SMILES notation for CID 87067075?
The canonical SMILES for CID 87067075 is O=C(O)CCCC(=O)O.[Li].
What is the InChIKey of CID 87067075?
The InChIKey is QAZFXRQBKPQRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.Li/c6-4(7)2-1-3-5(8)9;/h1-3H2,(H,6,7)(H,8,9);.
What are the key properties of CID 87067075?
CID 87067075 has a molecular weight of 139.06 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87067075 is sourced from PubChem (CID 87067075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).