CID 173033725

C33H60AlO12 — CID 173033725

IUPAC—
SMILESCC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Al]
InChIInChI=1S/3C11H20O4.Al/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);
InChIKeyNFNREZZSZRDVHM-UHFFFAOYSA-N
MW675.81 g/mol
LogP6.75
Rot. Bonds18

About CID 173033725

CID 173033725 (PubChem CID 173033725) has the molecular formula C33H60AlO12 and a molecular weight of 675.81 g/mol.

Molecular Properties

Compound NameCID 173033725
PubChem CID173033725
Molecular FormulaC33H60AlO12
Molecular Weight675.81 g/mol
Exact Mass675.39
IUPAC Name—
SMILESCC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Al]
InChIInChI=1S/3C11H20O4.Al/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);
InChIKeyNFNREZZSZRDVHM-UHFFFAOYSA-N
XLogP6.75
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500675.81
LogP ≤ 56.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze CID 173033725 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

ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
CID 173029770
2,2,3,3-tetramethylheptadecanoic acid
CID 54420506
2,2-dimethylicosanedioic acid
CID 87760954
2,2-dimethyloctanedioic acid
CID 21225473
bicyclo[2.2.0]hexane;2,2-dimethylhexanedioic acid
CID 66701484
5,5-difluorohexanoic acid
CID 53418167
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
chloromethane;pentanedioic acid
CID 159659659
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
1-methylpropane-1,1,3-tricarboxylic acid
CID 3451460
2,2-dimethylpropane-1,3-diol;hexanedioic acid;3-hydroxy-2,2-dimethylpropanoic acid
CID 174628452

Frequently Asked Questions

What is the IUPAC name of CID 173033725?
The IUPAC name of CID 173033725 (CID 173033725) is not available.
What is the SMILES notation for CID 173033725?
The canonical SMILES for CID 173033725 is CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.CC(C)(CCCC(=O)O)C(C)(C)C(=O)O.[Al].
What is the InChIKey of CID 173033725?
The InChIKey is NFNREZZSZRDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20O4.Al/c3*1-10(2,7-5-6-8(12)13)11(3,4)9(14)15;/h3*5-7H2,1-4H3,(H,12,13)(H,14,15);.
What are the key properties of CID 173033725?
CID 173033725 has a molecular weight of 675.81 g/mol, XLogP of 6.75, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173033725 is sourced from PubChem (CID 173033725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).