CID 10951624

C22H36U — CID 10951624

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-].[U+2]
InChIInChI=1S/2C10H15.2CH3.U/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyQNEUEVJHKGTENP-UHFFFAOYSA-N
MW538.56 g/mol
LogP6.84
Rot. Bonds

About CID 10951624

CID 10951624 (PubChem CID 10951624) has the molecular formula C22H36U and a molecular weight of 538.56 g/mol.

Molecular Properties

Compound NameCID 10951624
PubChem CID10951624
Molecular FormulaC22H36U
Molecular Weight538.56 g/mol
Exact Mass538.33
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-].[U+2]
InChIInChI=1S/2C10H15.2CH3.U/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H3;/q;;2*-1;+2
InChIKeyQNEUEVJHKGTENP-UHFFFAOYSA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.56
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 10951624?
The IUPAC name of CID 10951624 (CID 10951624) is not available.
What is the SMILES notation for CID 10951624?
The canonical SMILES for CID 10951624 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-].[U+2].
What is the InChIKey of CID 10951624?
The InChIKey is QNEUEVJHKGTENP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2CH3.U/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 10951624?
CID 10951624 has a molecular weight of 538.56 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 10951624 is sourced from PubChem (CID 10951624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).