CID 134899247

C22H36W — CID 134899247

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[W+2]
InChIInChI=1S/2C10H15.2CH3.W/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyTWRSWWCJDHMOGN-UHFFFAOYSA-N
MW484.37 g/mol
LogP6.84
Rot. Bonds

About CID 134899247

CID 134899247 (PubChem CID 134899247) has the molecular formula C22H36W and a molecular weight of 484.37 g/mol.

Molecular Properties

Compound NameCID 134899247
PubChem CID134899247
Molecular FormulaC22H36W
Molecular Weight484.37 g/mol
Exact Mass484.23
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[W+2]
InChIInChI=1S/2C10H15.2CH3.W/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyTWRSWWCJDHMOGN-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.37
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134899247?
The IUPAC name of CID 134899247 (CID 134899247) is not available.
What is the SMILES notation for CID 134899247?
The canonical SMILES for CID 134899247 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.[CH3-].[CH3-].[W+2].
What is the InChIKey of CID 134899247?
The InChIKey is TWRSWWCJDHMOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH3.W/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+2.
What are the key properties of CID 134899247?
CID 134899247 has a molecular weight of 484.37 g/mol, XLogP of 6.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899247 is sourced from PubChem (CID 134899247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).