CID 59958861

C16H22Y- — CID 59958861

IUPAC—
SMILESC[C]1CCC(Cc2cc(C)[c-]c(C)c2)CC1.[Y]
InChIInChI=1S/C16H22.Y/c1-12-4-6-15(7-5-12)11-16-9-13(2)8-14(3)10-16;/h9-10,15H,4-7,11H2,1-3H3;/q-1;
InChIKeyMYDOEFDYOFVAGZ-UHFFFAOYSA-N
MW303.26 g/mol
LogP4.43
Rot. Bonds2

About CID 59958861

CID 59958861 (PubChem CID 59958861) has the molecular formula C16H22Y- and a molecular weight of 303.26 g/mol.

Molecular Properties

Compound NameCID 59958861
PubChem CID59958861
Molecular FormulaC16H22Y-
Molecular Weight303.26 g/mol
Exact Mass303.08
IUPAC Name—
SMILESC[C]1CCC(Cc2cc(C)[c-]c(C)c2)CC1.[Y]
InChIInChI=1S/C16H22.Y/c1-12-4-6-15(7-5-12)11-16-9-13(2)8-14(3)10-16;/h9-10,15H,4-7,11H2,1-3H3;/q-1;
InChIKeyMYDOEFDYOFVAGZ-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 54.43
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 59958861?
The IUPAC name of CID 59958861 (CID 59958861) is not available.
What is the SMILES notation for CID 59958861?
The canonical SMILES for CID 59958861 is C[C]1CCC(Cc2cc(C)[c-]c(C)c2)CC1.[Y].
What is the InChIKey of CID 59958861?
The InChIKey is MYDOEFDYOFVAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22.Y/c1-12-4-6-15(7-5-12)11-16-9-13(2)8-14(3)10-16;/h9-10,15H,4-7,11H2,1-3H3;/q-1;.
What are the key properties of CID 59958861?
CID 59958861 has a molecular weight of 303.26 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59958861 is sourced from PubChem (CID 59958861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).