CID 102405206

C20H33+ — CID 102405206

IUPAC—
SMILESCC1=C2CC[C+](C)CCC/C(C)=C/C[C@H](CC1)C2(C)C
InChIInChI=1S/C20H33/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9,18H,6-8,10-14H2,1-5H3/q+1/b15-9+/t18-/m1/s1
InChIKeyIGFIYMVFEZSEED-IKFRKZOMSA-N
MW273.48 g/mol
LogP6.63
Rot. Bonds

About CID 102405206

CID 102405206 (PubChem CID 102405206) has the molecular formula C20H33+ and a molecular weight of 273.48 g/mol.

Molecular Properties

Compound NameCID 102405206
PubChem CID102405206
Molecular FormulaC20H33+
Molecular Weight273.48 g/mol
Exact Mass273.26
IUPAC Name—
SMILESCC1=C2CC[C+](C)CCC/C(C)=C/C[C@H](CC1)C2(C)C
InChIInChI=1S/C20H33/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9,18H,6-8,10-14H2,1-5H3/q+1/b15-9+/t18-/m1/s1
InChIKeyIGFIYMVFEZSEED-IKFRKZOMSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.48
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 102405206 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 102405206?
The IUPAC name of CID 102405206 (CID 102405206) is not available.
What is the SMILES notation for CID 102405206?
The canonical SMILES for CID 102405206 is CC1=C2CC[C+](C)CCC/C(C)=C/C[C@H](CC1)C2(C)C.
What is the InChIKey of CID 102405206?
The InChIKey is IGFIYMVFEZSEED-IKFRKZOMSA-N. The full InChI is InChI=1S/C20H33/c1-15-7-6-8-16(2)10-14-19-17(3)11-13-18(12-9-15)20(19,4)5/h9,18H,6-8,10-14H2,1-5H3/q+1/b15-9+/t18-/m1/s1.
What are the key properties of CID 102405206?
CID 102405206 has a molecular weight of 273.48 g/mol, XLogP of 6.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102405206 is sourced from PubChem (CID 102405206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).