CID 10692829

C23H36O6 — CID 10692829

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-/m1/s1
InChIKeySFOHMBBFSBTGGN-OPACOYJVSA-N
MW408.54 g/mol
LogP4.00
Rot. Bonds2

About CID 10692829

CID 10692829 (PubChem CID 10692829) has the molecular formula C23H36O6 and a molecular weight of 408.54 g/mol.

Molecular Properties

Compound NameCID 10692829
PubChem CID10692829
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-/m1/s1
InChIKeySFOHMBBFSBTGGN-OPACOYJVSA-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 10692829?
The IUPAC name of CID 10692829 (CID 10692829) is not available.
What is the SMILES notation for CID 10692829?
The canonical SMILES for CID 10692829 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 10692829?
The InChIKey is SFOHMBBFSBTGGN-OPACOYJVSA-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-/m1/s1.
What are the key properties of CID 10692829?
CID 10692829 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 10692829 is sourced from PubChem (CID 10692829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).