CID 11796606

C24H40O6 — CID 11796606

IUPAC—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)[C@H](OC)O1
InChIInChI=1S/C24H40O6/c1-15-13-17(28-16(2)25)19-21(3,4)9-8-10-22(19,5)24(15)12-11-23(30-24)14-18(26-6)29-20(23)27-7/h15,17-20H,8-14H2,1-7H3/t15-,17-,18-,19+,20-,22+,23+,24-/m1/s1
InChIKeyYCGYYZXBHVNOIX-VBKRYCECSA-N
MW424.58 g/mol
LogP4.44
Rot. Bonds3

About CID 11796606

CID 11796606 (PubChem CID 11796606) has the molecular formula C24H40O6 and a molecular weight of 424.58 g/mol.

Molecular Properties

Compound NameCID 11796606
PubChem CID11796606
Molecular FormulaC24H40O6
Molecular Weight424.58 g/mol
Exact Mass424.28
IUPAC Name—
SMILESCO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)[C@H](OC)O1
InChIInChI=1S/C24H40O6/c1-15-13-17(28-16(2)25)19-21(3,4)9-8-10-22(19,5)24(15)12-11-23(30-24)14-18(26-6)29-20(23)27-7/h15,17-20H,8-14H2,1-7H3/t15-,17-,18-,19+,20-,22+,23+,24-/m1/s1
InChIKeyYCGYYZXBHVNOIX-VBKRYCECSA-N
XLogP4.44
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze CID 11796606 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 11796606?
The IUPAC name of CID 11796606 (CID 11796606) is not available.
What is the SMILES notation for CID 11796606?
The canonical SMILES for CID 11796606 is CO[C@H]1C[C@@]2(CC[C@@]3(O2)[C@H](C)C[C@@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]23C)[C@H](OC)O1.
What is the InChIKey of CID 11796606?
The InChIKey is YCGYYZXBHVNOIX-VBKRYCECSA-N. The full InChI is InChI=1S/C24H40O6/c1-15-13-17(28-16(2)25)19-21(3,4)9-8-10-22(19,5)24(15)12-11-23(30-24)14-18(26-6)29-20(23)27-7/h15,17-20H,8-14H2,1-7H3/t15-,17-,18-,19+,20-,22+,23+,24-/m1/s1.
What are the key properties of CID 11796606?
CID 11796606 has a molecular weight of 424.58 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11796606 is sourced from PubChem (CID 11796606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).