CID 162414557

C15H18O4 — CID 162414557

IUPAC—
SMILESC=C1CCC2C[C@@H]1C21CO[C@@]2(C=C(C)C(=O)O2)[C@H]1O
InChIInChI=1S/C15H18O4/c1-8-3-4-10-5-11(8)14(10)7-18-15(13(14)17)6-9(2)12(16)19-15/h6,10-11,13,17H,1,3-5,7H2,2H3/t10?,11-,13-,14?,15+/m0/s1
InChIKeyWSCZAOPWNOYKPC-ICIUUZGISA-N
MW262.30 g/mol
LogP1.55
Rot. Bonds

About CID 162414557

CID 162414557 (PubChem CID 162414557) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol.

Molecular Properties

Compound NameCID 162414557
PubChem CID162414557
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name—
SMILESC=C1CCC2C[C@@H]1C21CO[C@@]2(C=C(C)C(=O)O2)[C@H]1O
InChIInChI=1S/C15H18O4/c1-8-3-4-10-5-11(8)14(10)7-18-15(13(14)17)6-9(2)12(16)19-15/h6,10-11,13,17H,1,3-5,7H2,2H3/t10?,11-,13-,14?,15+/m0/s1
InChIKeyWSCZAOPWNOYKPC-ICIUUZGISA-N
XLogP1.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 162414557 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 162414557?
The IUPAC name of CID 162414557 (CID 162414557) is not available.
What is the SMILES notation for CID 162414557?
The canonical SMILES for CID 162414557 is C=C1CCC2C[C@@H]1C21CO[C@@]2(C=C(C)C(=O)O2)[C@H]1O.
What is the InChIKey of CID 162414557?
The InChIKey is WSCZAOPWNOYKPC-ICIUUZGISA-N. The full InChI is InChI=1S/C15H18O4/c1-8-3-4-10-5-11(8)14(10)7-18-15(13(14)17)6-9(2)12(16)19-15/h6,10-11,13,17H,1,3-5,7H2,2H3/t10?,11-,13-,14?,15+/m0/s1.
What are the key properties of CID 162414557?
CID 162414557 has a molecular weight of 262.30 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162414557 is sourced from PubChem (CID 162414557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).