CID 5387600

C15H15O10 — CID 5387600

IUPAC—
SMILESCOC(=O)[C]1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C15H15O10/c1-21-11(16)6-7(12(17)22-2)9(14(19)24-4)10(15(20)25-5)8(6)13(18)23-3/h1-5H3
InChIKeyMRUKCWKCOZYUFN-UHFFFAOYSA-N
MW355.28 g/mol
LogP-0.97
Rot. Bonds5

About CID 5387600

CID 5387600 (PubChem CID 5387600) has the molecular formula C15H15O10 and a molecular weight of 355.28 g/mol.

Molecular Properties

Compound NameCID 5387600
PubChem CID5387600
Molecular FormulaC15H15O10
Molecular Weight355.28 g/mol
Exact Mass355.07
IUPAC Name—
SMILESCOC(=O)[C]1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C15H15O10/c1-21-11(16)6-7(12(17)22-2)9(14(19)24-4)10(15(20)25-5)8(6)13(18)23-3/h1-5H3
InChIKeyMRUKCWKCOZYUFN-UHFFFAOYSA-N
XLogP-0.97
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 5387600?
The IUPAC name of CID 5387600 (CID 5387600) is not available.
What is the SMILES notation for CID 5387600?
The canonical SMILES for CID 5387600 is COC(=O)[C]1C(C(=O)OC)=C(C(=O)OC)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of CID 5387600?
The InChIKey is MRUKCWKCOZYUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O10/c1-21-11(16)6-7(12(17)22-2)9(14(19)24-4)10(15(20)25-5)8(6)13(18)23-3/h1-5H3.
What are the key properties of CID 5387600?
CID 5387600 has a molecular weight of 355.28 g/mol, XLogP of -0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5387600 is sourced from PubChem (CID 5387600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).