CID 11361528

C23H44NO4 — CID 11361528

IUPAC—
SMILESCCCCCCCCC1(CCCCCCCCC(=O)OC)OCC(C)(C)N1[O]
InChIInChI=1S/C23H44NO4/c1-5-6-7-8-12-15-18-23(24(26)22(2,3)20-28-23)19-16-13-10-9-11-14-17-21(25)27-4/h5-20H2,1-4H3
InChIKeyUAHCIKMOHZRUSY-UHFFFAOYSA-N
MW398.61 g/mol
LogP6.18
Rot. Bonds16

About CID 11361528

CID 11361528 (PubChem CID 11361528) has the molecular formula C23H44NO4 and a molecular weight of 398.61 g/mol.

Molecular Properties

Compound NameCID 11361528
PubChem CID11361528
Molecular FormulaC23H44NO4
Molecular Weight398.61 g/mol
Exact Mass398.33
IUPAC Name—
SMILESCCCCCCCCC1(CCCCCCCCC(=O)OC)OCC(C)(C)N1[O]
InChIInChI=1S/C23H44NO4/c1-5-6-7-8-12-15-18-23(24(26)22(2,3)20-28-23)19-16-13-10-9-11-14-17-21(25)27-4/h5-20H2,1-4H3
InChIKeyUAHCIKMOHZRUSY-UHFFFAOYSA-N
XLogP6.18
TPSA58.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.61
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 9-(3-hydroxy-4,4-dimethyl-2-octyl-1,3-oxazolidin-2-yl)nonanoate
CID 3407870
methyl 8-(1-heptylcyclohexyl)octanoate
CID 118260042
methyl heptadecanoate
CID 15609
methyl tetradecanoate
CID 89052795
methyl heptanoate
CID 7826
methyl octadecanoate;methyl octanoate
CID 157178883
methyl 13-(2-butyl-4,4-dimethyl-1,3-oxazolidin-2-yl)tridecanoate
CID 11280557
CID 11699445
CID 11699445
methyl nonanoate;hydrochloride
CID 141151355
methyl heptanoate;dihydrochloride
CID 140971064
CID 159528754
CID 159528754
methanol;methyl decanoate
CID 174459243

Frequently Asked Questions

What is the IUPAC name of CID 11361528?
The IUPAC name of CID 11361528 (CID 11361528) is not available.
What is the SMILES notation for CID 11361528?
The canonical SMILES for CID 11361528 is CCCCCCCCC1(CCCCCCCCC(=O)OC)OCC(C)(C)N1[O].
What is the InChIKey of CID 11361528?
The InChIKey is UAHCIKMOHZRUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44NO4/c1-5-6-7-8-12-15-18-23(24(26)22(2,3)20-28-23)19-16-13-10-9-11-14-17-21(25)27-4/h5-20H2,1-4H3.
What are the key properties of CID 11361528?
CID 11361528 has a molecular weight of 398.61 g/mol, XLogP of 6.18, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11361528 is sourced from PubChem (CID 11361528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).