CID 75604483

C23H36O6 — CID 75604483

IUPAC—
SMILESCOC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3
InChIKeySFOHMBBFSBTGGN-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 75604483

CID 75604483 (PubChem CID 75604483) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 75604483
PubChem CID75604483
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name—
SMILESCOC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C
InChIInChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3
InChIKeySFOHMBBFSBTGGN-UHFFFAOYSA-N
XLogP4.00
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 75604483?
The IUPAC name of CID 75604483 (CID 75604483) is not available.
What is the SMILES notation for CID 75604483?
The canonical SMILES for CID 75604483 is COC1OC(=O)CC12CCC1(O2)C(C)CC(OC(C)=O)C2C(C)(C)CCCC21C.
What is the InChIKey of CID 75604483?
The InChIKey is SFOHMBBFSBTGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O6/c1-14-12-16(27-15(2)24)18-20(3,4)8-7-9-21(18,5)23(14)11-10-22(29-23)13-17(25)28-19(22)26-6/h14,16,18-19H,7-13H2,1-6H3.
What are the key properties of CID 75604483?
CID 75604483 has a molecular weight of 408.54 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 75604483 is sourced from PubChem (CID 75604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).