CID 134898704

C16H22O2W — CID 134898704

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[CH2][CH][CH]C.[W]
InChIInChI=1S/C10H15.C4H7.2CO.W/c1-6-7(2)9(4)10(5)8(6)3;1-3-4-2;2*1-2;/h1-5H3;3-4H,1H2,2H3;;;
InChIKeyCWBAHSOTHIAGQH-UHFFFAOYSA-N
MW430.19 g/mol
LogP4.14
Rot. Bonds1

About CID 134898704

CID 134898704 (PubChem CID 134898704) has the molecular formula C16H22O2W and a molecular weight of 430.19 g/mol.

Molecular Properties

Compound NameCID 134898704
PubChem CID134898704
Molecular FormulaC16H22O2W
Molecular Weight430.19 g/mol
Exact Mass430.11
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[CH2][CH][CH]C.[W]
InChIInChI=1S/C10H15.C4H7.2CO.W/c1-6-7(2)9(4)10(5)8(6)3;1-3-4-2;2*1-2;/h1-5H3;3-4H,1H2,2H3;;;
InChIKeyCWBAHSOTHIAGQH-UHFFFAOYSA-N
XLogP4.14
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134898704 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 134898704?
The IUPAC name of CID 134898704 (CID 134898704) is not available.
What is the SMILES notation for CID 134898704?
The canonical SMILES for CID 134898704 is C[C]1[C](C)[C](C)[C](C)[C]1C.[C-]#[O+].[C-]#[O+].[CH2][CH][CH]C.[W].
What is the InChIKey of CID 134898704?
The InChIKey is CWBAHSOTHIAGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C4H7.2CO.W/c1-6-7(2)9(4)10(5)8(6)3;1-3-4-2;2*1-2;/h1-5H3;3-4H,1H2,2H3;;;.
What are the key properties of CID 134898704?
CID 134898704 has a molecular weight of 430.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134898704 is sourced from PubChem (CID 134898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).