CID 23389445

C17H24O6 — CID 23389445

IUPAC—
SMILESC1CC2(COC3(OC2)OCC2(CCC4OC4C2)CO3)CC2OC12
InChIInChI=1S/C17H24O6/c1-3-15(5-13-11(1)22-13)7-18-17(19-8-15)20-9-16(10-21-17)4-2-12-14(6-16)23-12/h11-14H,1-10H2
InChIKeyRMIWQPYWGVHVLM-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.57
Rot. Bonds

About CID 23389445

CID 23389445 (PubChem CID 23389445) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol.

Molecular Properties

Compound NameCID 23389445
PubChem CID23389445
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name—
SMILESC1CC2(COC3(OC2)OCC2(CCC4OC4C2)CO3)CC2OC12
InChIInChI=1S/C17H24O6/c1-3-15(5-13-11(1)22-13)7-18-17(19-8-15)20-9-16(10-21-17)4-2-12-14(6-16)23-12/h11-14H,1-10H2
InChIKeyRMIWQPYWGVHVLM-UHFFFAOYSA-N
XLogP1.57
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23389445?
The IUPAC name of CID 23389445 (CID 23389445) is not available.
What is the SMILES notation for CID 23389445?
The canonical SMILES for CID 23389445 is C1CC2(COC3(OC2)OCC2(CCC4OC4C2)CO3)CC2OC12.
What is the InChIKey of CID 23389445?
The InChIKey is RMIWQPYWGVHVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-3-15(5-13-11(1)22-13)7-18-17(19-8-15)20-9-16(10-21-17)4-2-12-14(6-16)23-12/h11-14H,1-10H2.
What are the key properties of CID 23389445?
CID 23389445 has a molecular weight of 324.37 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23389445 is sourced from PubChem (CID 23389445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).