tricosan-7-yl hydrogen carbonate

C24H48O3 — CID 87300503

IUPACtricosan-7-yl hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCC(CCCCCC)OC(=O)O
InChIInChI=1S/C24H48O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(27-24(25)26)21-19-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyMIECRZPWUWIWOZ-UHFFFAOYSA-N
MW384.65 g/mol
LogP8.89
Rot. Bonds21

About tricosan-7-yl hydrogen carbonate

tricosan-7-yl hydrogen carbonate (PubChem CID 87300503) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is tricosan-7-yl hydrogen carbonate.

Molecular Properties

Compound Nametricosan-7-yl hydrogen carbonate
PubChem CID87300503
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Nametricosan-7-yl hydrogen carbonate
SMILESCCCCCCCCCCCCCCCCC(CCCCCC)OC(=O)O
InChIInChI=1S/C24H48O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(27-24(25)26)21-19-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26)
InChIKeyMIECRZPWUWIWOZ-UHFFFAOYSA-N
XLogP8.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 58.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hexacosan-8-yl hydrogen carbonate
CID 87300461
heptadecan-9-yl hydrogen carbonate
CID 18183422
heptacosan-14-yl hydrogen carbonate
CID 87148310
icosan-10-yl hydrogen carbonate
CID 151448549
nonadecan-4-yl hydrogen carbonate
CID 87300318
1-hydroxypentadecan-3-yl hydrogen carbonate
CID 118165795
henicosan-3-yl hydrogen carbonate
CID 87300438
24-bromotetracosan-9-yl hydrogen carbonate
CID 172800180
[(Z)-tetracont-9-en-18-yl] hydrogen carbonate
CID 88508610
1-ethoxydecan-2-yl hydrogen carbonate
CID 139923221
1-cyanononan-4-yl hydrogen carbonate
CID 175190437
1-(2-methoxyethoxy)decan-4-yl hydrogen carbonate
CID 87841165

Frequently Asked Questions

What is the IUPAC name of tricosan-7-yl hydrogen carbonate?
The IUPAC name of tricosan-7-yl hydrogen carbonate (CID 87300503) is tricosan-7-yl hydrogen carbonate.
What is the SMILES notation for tricosan-7-yl hydrogen carbonate?
The canonical SMILES for tricosan-7-yl hydrogen carbonate is CCCCCCCCCCCCCCCCC(CCCCCC)OC(=O)O.
What is the InChIKey of tricosan-7-yl hydrogen carbonate?
The InChIKey is MIECRZPWUWIWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22-23(27-24(25)26)21-19-8-6-4-2/h23H,3-22H2,1-2H3,(H,25,26).
What are the key properties of tricosan-7-yl hydrogen carbonate?
tricosan-7-yl hydrogen carbonate has a molecular weight of 384.65 g/mol, XLogP of 8.89, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricosan-7-yl hydrogen carbonate is sourced from PubChem (CID 87300503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).