CID 46883182

C20H28O5 — CID 46883182

IUPAC—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H28O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-13,15H,4-11H2,1-3H3/t12-,13-,15+,17+,18+,19+,20-/m1/s1
InChIKeyUHVBVZOAJOXFRA-GBJBSKOPSA-N
MW348.44 g/mol
LogP3.00
Rot. Bonds

About CID 46883182

CID 46883182 (PubChem CID 46883182) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol.

Molecular Properties

Compound NameCID 46883182
PubChem CID46883182
Molecular FormulaC20H28O5
Molecular Weight348.44 g/mol
Exact Mass348.19
IUPAC Name—
SMILESC[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2
InChIInChI=1S/C20H28O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-13,15H,4-11H2,1-3H3/t12-,13-,15+,17+,18+,19+,20-/m1/s1
InChIKeyUHVBVZOAJOXFRA-GBJBSKOPSA-N
XLogP3.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 46883182?
The IUPAC name of CID 46883182 (CID 46883182) is not available.
What is the SMILES notation for CID 46883182?
The canonical SMILES for CID 46883182 is C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@@]12CC[C@]1(COC(=O)C1)O2.
What is the InChIKey of CID 46883182?
The InChIKey is UHVBVZOAJOXFRA-GBJBSKOPSA-N. The full InChI is InChI=1S/C20H28O5/c1-12-9-13-15-17(2,16(22)24-13)5-4-6-18(15,3)20(12)8-7-19(25-20)10-14(21)23-11-19/h12-13,15H,4-11H2,1-3H3/t12-,13-,15+,17+,18+,19+,20-/m1/s1.
What are the key properties of CID 46883182?
CID 46883182 has a molecular weight of 348.44 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46883182 is sourced from PubChem (CID 46883182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).