CID 146223036

C18H26O2 — CID 146223036

IUPAC—
SMILESC=C(C(=O)OC)[C@@H]1CCC2(CC2)[C@@H]2CCC3(CC3)[C@@H]2C1
InChIInChI=1S/C18H26O2/c1-12(16(19)20-2)13-3-5-17(7-8-17)14-4-6-18(9-10-18)15(14)11-13/h13-15H,1,3-11H2,2H3/t13-,14-,15-/m1/s1
InChIKeyUXFSYQVDRAGXPF-RBSFLKMASA-N
MW274.40 g/mol
LogP4.10
Rot. Bonds2

About CID 146223036

CID 146223036 (PubChem CID 146223036) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol.

Molecular Properties

Compound NameCID 146223036
PubChem CID146223036
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name—
SMILESC=C(C(=O)OC)[C@@H]1CCC2(CC2)[C@@H]2CCC3(CC3)[C@@H]2C1
InChIInChI=1S/C18H26O2/c1-12(16(19)20-2)13-3-5-17(7-8-17)14-4-6-18(9-10-18)15(14)11-13/h13-15H,1,3-11H2,2H3/t13-,14-,15-/m1/s1
InChIKeyUXFSYQVDRAGXPF-RBSFLKMASA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 146223036 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 146223036?
The IUPAC name of CID 146223036 (CID 146223036) is not available.
What is the SMILES notation for CID 146223036?
The canonical SMILES for CID 146223036 is C=C(C(=O)OC)[C@@H]1CCC2(CC2)[C@@H]2CCC3(CC3)[C@@H]2C1.
What is the InChIKey of CID 146223036?
The InChIKey is UXFSYQVDRAGXPF-RBSFLKMASA-N. The full InChI is InChI=1S/C18H26O2/c1-12(16(19)20-2)13-3-5-17(7-8-17)14-4-6-18(9-10-18)15(14)11-13/h13-15H,1,3-11H2,2H3/t13-,14-,15-/m1/s1.
What are the key properties of CID 146223036?
CID 146223036 has a molecular weight of 274.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146223036 is sourced from PubChem (CID 146223036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).