CID 59971475

C23H42O5 — CID 59971475

IUPAC—
SMILES[CH]OC(COCC=C)COCC1COC(CCCCCC)(CCCCCC)O1
InChIInChI=1S/C23H42O5/c1-5-8-10-12-14-23(15-13-11-9-6-2)27-20-22(28-23)19-26-18-21(24-4)17-25-16-7-3/h4,7,21-22H,3,5-6,8-20H2,1-2H3
InChIKeyGFOOLRALSKJWSA-UHFFFAOYSA-N
MW398.58 g/mol
LogP5.31
Rot. Bonds19

About CID 59971475

CID 59971475 (PubChem CID 59971475) has the molecular formula C23H42O5 and a molecular weight of 398.58 g/mol.

Molecular Properties

Compound NameCID 59971475
PubChem CID59971475
Molecular FormulaC23H42O5
Molecular Weight398.58 g/mol
Exact Mass398.30
IUPAC Name—
SMILES[CH]OC(COCC=C)COCC1COC(CCCCCC)(CCCCCC)O1
InChIInChI=1S/C23H42O5/c1-5-8-10-12-14-23(15-13-11-9-6-2)27-20-22(28-23)19-26-18-21(24-4)17-25-16-7-3/h4,7,21-22H,3,5-6,8-20H2,1-2H3
InChIKeyGFOOLRALSKJWSA-UHFFFAOYSA-N
XLogP5.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.58
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59971475?
The IUPAC name of CID 59971475 (CID 59971475) is not available.
What is the SMILES notation for CID 59971475?
The canonical SMILES for CID 59971475 is [CH]OC(COCC=C)COCC1COC(CCCCCC)(CCCCCC)O1.
What is the InChIKey of CID 59971475?
The InChIKey is GFOOLRALSKJWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42O5/c1-5-8-10-12-14-23(15-13-11-9-6-2)27-20-22(28-23)19-26-18-21(24-4)17-25-16-7-3/h4,7,21-22H,3,5-6,8-20H2,1-2H3.
What are the key properties of CID 59971475?
CID 59971475 has a molecular weight of 398.58 g/mol, XLogP of 5.31, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59971475 is sourced from PubChem (CID 59971475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).