CID 162660091

C21H34O5 — CID 162660091

IUPAC—
SMILESCO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)CO1
InChIInChI=1S/C21H34O5/c1-13-14(22)10-15-18(2,3)16(23)6-7-19(15,4)21(13)9-8-20(26-21)11-17(24-5)25-12-20/h13,15-17,23H,6-12H2,1-5H3/t13-,15+,16-,17+,19+,20-,21-/m1/s1
InChIKeyGRDUVYQXSCMKLY-OYLUQTFWSA-N
MW366.50 g/mol
LogP3.08
Rot. Bonds1

About CID 162660091

CID 162660091 (PubChem CID 162660091) has the molecular formula C21H34O5 and a molecular weight of 366.50 g/mol.

Molecular Properties

Compound NameCID 162660091
PubChem CID162660091
Molecular FormulaC21H34O5
Molecular Weight366.50 g/mol
Exact Mass366.24
IUPAC Name—
SMILESCO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)CO1
InChIInChI=1S/C21H34O5/c1-13-14(22)10-15-18(2,3)16(23)6-7-19(15,4)21(13)9-8-20(26-21)11-17(24-5)25-12-20/h13,15-17,23H,6-12H2,1-5H3/t13-,15+,16-,17+,19+,20-,21-/m1/s1
InChIKeyGRDUVYQXSCMKLY-OYLUQTFWSA-N
XLogP3.08
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 162660091 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 162660091?
The IUPAC name of CID 162660091 (CID 162660091) is not available.
What is the SMILES notation for CID 162660091?
The canonical SMILES for CID 162660091 is CO[C@@H]1C[C@]2(CC[C@@]3(O2)[C@H](C)C(=O)C[C@H]2C(C)(C)[C@H](O)CC[C@@]23C)CO1.
What is the InChIKey of CID 162660091?
The InChIKey is GRDUVYQXSCMKLY-OYLUQTFWSA-N. The full InChI is InChI=1S/C21H34O5/c1-13-14(22)10-15-18(2,3)16(23)6-7-19(15,4)21(13)9-8-20(26-21)11-17(24-5)25-12-20/h13,15-17,23H,6-12H2,1-5H3/t13-,15+,16-,17+,19+,20-,21-/m1/s1.
What are the key properties of CID 162660091?
CID 162660091 has a molecular weight of 366.50 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162660091 is sourced from PubChem (CID 162660091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).