CID 162974462

C23H36O6 — CID 162974462

IUPAC—
SMILESCO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C
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/t14-,16-,18+,19-,21+,22+,23-/m0/s1
InChIKeySFOHMBBFSBTGGN-BTWKVCBZSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 162974462

CID 162974462 (PubChem CID 162974462) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 162974462
PubChem CID162974462
Molecular FormulaC23H36O6
Molecular Weight408.54 g/mol
Exact Mass408.25
IUPAC Name—
SMILESCO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C
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/t14-,16-,18+,19-,21+,22+,23-/m0/s1
InChIKeySFOHMBBFSBTGGN-BTWKVCBZSA-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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Related Compounds

13-epicyllenin A
CID 44254085
13,15-diepicyllenin A
CID 46883140
NCGC00347826-02_C22H34O6_2-Hydroxy-2'',5'',5'',8a''-tetramethyl-5-oxododecahydro-2''H-dispiro[furan-3,2'-furan-5',1''-naphthalen]-4''-yl acetate
CID 51136443
CID 46883182
CID 46883182
Negundoin D
CID 46229720
CID 11796606
CID 11796606
(1R,2R,5R,6S,8aS)-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-octahydro-2H-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-5''-one
CID 16394485
Previtexilactone
CID 21636179
CID 71579374
CID 71579374
Lupulin B
CID 44566823
CID 46883138
CID 46883138
CID 46883183
CID 46883183

Frequently Asked Questions

What is the IUPAC name of CID 162974462?
The IUPAC name of CID 162974462 (CID 162974462) is not available.
What is the SMILES notation for CID 162974462?
The canonical SMILES for CID 162974462 is CO[C@H]1OC(=O)C[C@]12CC[C@]1(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]21C.
What is the InChIKey of CID 162974462?
The InChIKey is SFOHMBBFSBTGGN-BTWKVCBZSA-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/t14-,16-,18+,19-,21+,22+,23-/m0/s1.
What are the key properties of CID 162974462?
CID 162974462 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 162974462 is sourced from PubChem (CID 162974462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).