CID 10923660

C14H16FeO2+2 — CID 10923660

IUPAC—
SMILESO=C(O)CCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C9H11O2.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2,(H,10,11);1-5H;/q;;+2
InChIKeyKBPYVNLJJRIWQT-UHFFFAOYSA-N
MW272.12 g/mol
LogP2.67
Rot. Bonds4

About CID 10923660

CID 10923660 (PubChem CID 10923660) has the molecular formula C14H16FeO2+2 and a molecular weight of 272.12 g/mol.

Molecular Properties

Compound NameCID 10923660
PubChem CID10923660
Molecular FormulaC14H16FeO2+2
Molecular Weight272.12 g/mol
Exact Mass272.05
IUPAC Name—
SMILESO=C(O)CCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C9H11O2.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2,(H,10,11);1-5H;/q;;+2
InChIKeyKBPYVNLJJRIWQT-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 10923660 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 10968103
CID 10968103
3-Ferrocenylpropionic anhydride, for HPLC derivatization, >=98.0% (C)
CID 117064466
carbonic acid;decanedioic acid
CID 159592525
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
erbium;pentanedioic acid
CID 87931794
heptadecanedioic acid
CID 3083765
azane;bis(pentanedioic acid)
CID 138524332
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of CID 10923660?
The IUPAC name of CID 10923660 (CID 10923660) is not available.
What is the SMILES notation for CID 10923660?
The canonical SMILES for CID 10923660 is O=C(O)CCC[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10923660?
The InChIKey is KBPYVNLJJRIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.C5H5.Fe/c10-9(11)7-3-6-8-4-1-2-5-8;1-2-4-5-3-1;/h1-2,4-5H,3,6-7H2,(H,10,11);1-5H;/q;;+2.
What are the key properties of CID 10923660?
CID 10923660 has a molecular weight of 272.12 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10923660 is sourced from PubChem (CID 10923660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).