CID 46883183

C20H28O5 — CID 46883183

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-WBTYJLFFSA-N
MW348.44 g/mol
LogP3.00
Rot. Bonds

About CID 46883183

CID 46883183 (PubChem CID 46883183) has the molecular formula C20H28O5 and a molecular weight of 348.44 g/mol.

Molecular Properties

Compound NameCID 46883183
PubChem CID46883183
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-WBTYJLFFSA-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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Related Compounds

CID 162964843
CID 162964843
(1S,4S,8R,9R,10S,12R)-9-[2-(furan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 162845938
(1R,4S,8R,9R,10R)-9-[2-(2-cycloheptyloxolan-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 160640813
CID 10437868
CID 10437868
CID 124853650
CID 124853650
(1R,4S,8S,9R,10R,12R)-9-[2-(2,5-diethoxy-2,5-dihydrofuran-3-yl)ethyl]-9-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-3-one
CID 138978682
(1S,4R,8S)-4,8-dimethyl-2-oxatricyclo[6.3.1.04,12]dodecane-3,9-dione
CID 177420299
CID 163076817
CID 163076817
CID 10740223
CID 10740223
CID 101077826
CID 101077826
CID 163190142
CID 163190142
5'-(2-hydroxyethyl)-5'-(hydroxymethyl)-3,4a,8,8-tetramethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxolane]-1-ol
CID 162992918

Frequently Asked Questions

What is the IUPAC name of CID 46883183?
The IUPAC name of CID 46883183 (CID 46883183) is not available.
What is the SMILES notation for CID 46883183?
The canonical SMILES for CID 46883183 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 46883183?
The InChIKey is UHVBVZOAJOXFRA-WBTYJLFFSA-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 46883183?
CID 46883183 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 46883183 is sourced from PubChem (CID 46883183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).