CID 71434191

C22H36-2 — CID 71434191

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-]
InChIInChI=1S/2C10H15.2CH3/c2*1-6-7(2)9(4)10(5)8(6)3;;/h2*1-5H3;2*1H3/q;;2*-1
InChIKeyQIGUQIJPHXOECQ-UHFFFAOYSA-N
MW300.53 g/mol
LogP7.43
Rot. Bonds

About CID 71434191

CID 71434191 (PubChem CID 71434191) has the molecular formula C22H36-2 and a molecular weight of 300.53 g/mol.

Molecular Properties

Compound NameCID 71434191
PubChem CID71434191
Molecular FormulaC22H36-2
Molecular Weight300.53 g/mol
Exact Mass300.28
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-]
InChIInChI=1S/2C10H15.2CH3/c2*1-6-7(2)9(4)10(5)8(6)3;;/h2*1-5H3;2*1H3/q;;2*-1
InChIKeyQIGUQIJPHXOECQ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.53
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 71434191 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 71434191?
The IUPAC name of CID 71434191 (CID 71434191) is not available.
What is the SMILES notation for CID 71434191?
The canonical SMILES for CID 71434191 is C[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.[CH3-].[CH3-].
What is the InChIKey of CID 71434191?
The InChIKey is QIGUQIJPHXOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH3/c2*1-6-7(2)9(4)10(5)8(6)3;;/h2*1-5H3;2*1H3/q;;2*-1.
What are the key properties of CID 71434191?
CID 71434191 has a molecular weight of 300.53 g/mol, XLogP of 7.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71434191 is sourced from PubChem (CID 71434191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).