CID 14315620

C16H24O6 — CID 14315620

IUPAC—
SMILESCOC(=O)C1CCC2C(C1)OC1(CC(O)C(C)CO1)C21CO1
InChIInChI=1S/C16H24O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-13,17H,3-8H2,1-2H3
InChIKeyXORQXQOHJNHHNK-UHFFFAOYSA-N
MW312.36 g/mol
LogP0.86
Rot. Bonds1

About CID 14315620

CID 14315620 (PubChem CID 14315620) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol.

Molecular Properties

Compound NameCID 14315620
PubChem CID14315620
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name—
SMILESCOC(=O)C1CCC2C(C1)OC1(CC(O)C(C)CO1)C21CO1
InChIInChI=1S/C16H24O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-13,17H,3-8H2,1-2H3
InChIKeyXORQXQOHJNHHNK-UHFFFAOYSA-N
XLogP0.86
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
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 14315620?
The IUPAC name of CID 14315620 (CID 14315620) is not available.
What is the SMILES notation for CID 14315620?
The canonical SMILES for CID 14315620 is COC(=O)C1CCC2C(C1)OC1(CC(O)C(C)CO1)C21CO1.
What is the InChIKey of CID 14315620?
The InChIKey is XORQXQOHJNHHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c1-9-7-20-16(6-12(9)17)15(8-21-15)11-4-3-10(14(18)19-2)5-13(11)22-16/h9-13,17H,3-8H2,1-2H3.
What are the key properties of CID 14315620?
CID 14315620 has a molecular weight of 312.36 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 14315620 is sourced from PubChem (CID 14315620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).