carbonic acid;icosanoic acid

C21H42O5 — CID 160543852

IUPACcarbonic acid;icosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)O
InChIInChI=1S/C20H40O2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;2-1(3)4/h2-19H2,1H3,(H,21,22);(H2,2,3,4)
InChIKeyQXDSRADSMNJCLW-UHFFFAOYSA-N
MW374.56 g/mol
LogP7.34
Rot. Bonds18

About carbonic acid;icosanoic acid

carbonic acid;icosanoic acid (PubChem CID 160543852) has the molecular formula C21H42O5 and a molecular weight of 374.56 g/mol. Its IUPAC name is carbonic acid;icosanoic acid.

Molecular Properties

Compound Namecarbonic acid;icosanoic acid
PubChem CID160543852
Molecular FormulaC21H42O5
Molecular Weight374.56 g/mol
Exact Mass374.30
IUPAC Namecarbonic acid;icosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)O
InChIInChI=1S/C20H40O2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;2-1(3)4/h2-19H2,1H3,(H,21,22);(H2,2,3,4)
InChIKeyQXDSRADSMNJCLW-UHFFFAOYSA-N
XLogP7.34
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.56
LogP ≤ 57.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbonic acid;icosanoic acid 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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of carbonic acid;icosanoic acid?
The IUPAC name of carbonic acid;icosanoic acid (CID 160543852) is carbonic acid;icosanoic acid.
What is the SMILES notation for carbonic acid;icosanoic acid?
The canonical SMILES for carbonic acid;icosanoic acid is CCCCCCCCCCCCCCCCCCCC(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;icosanoic acid?
The InChIKey is QXDSRADSMNJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2.CH2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;2-1(3)4/h2-19H2,1H3,(H,21,22);(H2,2,3,4).
What are the key properties of carbonic acid;icosanoic acid?
carbonic acid;icosanoic acid has a molecular weight of 374.56 g/mol, XLogP of 7.34, 18 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;icosanoic acid is sourced from PubChem (CID 160543852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).