CID 24990370

C19H31NO4 — CID 24990370

IUPAC—
SMILESOCCNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO4/c21-6-5-20-12-13-1-3-18(4-2-13)22-19(24-23-18)16-8-14-7-15(10-16)11-17(19)9-14/h13-17,20-21H,1-12H2
InChIKeyUJIFSLVJUGOSJO-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.59
Rot. Bonds4

About CID 24990370

CID 24990370 (PubChem CID 24990370) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol.

Molecular Properties

Compound NameCID 24990370
PubChem CID24990370
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name—
SMILESOCCNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H31NO4/c21-6-5-20-12-13-1-3-18(4-2-13)22-19(24-23-18)16-8-14-7-15(10-16)11-17(19)9-14/h13-17,20-21H,1-12H2
InChIKeyUJIFSLVJUGOSJO-UHFFFAOYSA-N
XLogP2.59
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 24990370?
The IUPAC name of CID 24990370 (CID 24990370) is not available.
What is the SMILES notation for CID 24990370?
The canonical SMILES for CID 24990370 is OCCNCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3.
What is the InChIKey of CID 24990370?
The InChIKey is UJIFSLVJUGOSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c21-6-5-20-12-13-1-3-18(4-2-13)22-19(24-23-18)16-8-14-7-15(10-16)11-17(19)9-14/h13-17,20-21H,1-12H2.
What are the key properties of CID 24990370?
CID 24990370 has a molecular weight of 337.46 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 24990370 is sourced from PubChem (CID 24990370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).