CID 59649959

C15H21+ — CID 59649959

IUPAC—
SMILESCC12C[C+]3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C15H21/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-13H,2-7H2,1H3/q+1
InChIKeyNDMBZADKSMUTEV-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.67
Rot. Bonds

About CID 59649959

CID 59649959 (PubChem CID 59649959) has the molecular formula C15H21+ and a molecular weight of 201.33 g/mol.

Molecular Properties

Compound NameCID 59649959
PubChem CID59649959
Molecular FormulaC15H21+
Molecular Weight201.33 g/mol
Exact Mass201.16
IUPAC Name—
SMILESCC12C[C+]3C4CC5CC3C(C1)C(C5)C4C2
InChIInChI=1S/C15H21/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-13H,2-7H2,1H3/q+1
InChIKeyNDMBZADKSMUTEV-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.67
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 59649959?
The IUPAC name of CID 59649959 (CID 59649959) is not available.
What is the SMILES notation for CID 59649959?
The canonical SMILES for CID 59649959 is CC12C[C+]3C4CC5CC3C(C1)C(C5)C4C2.
What is the InChIKey of CID 59649959?
The InChIKey is NDMBZADKSMUTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21/c1-15-5-12-9-2-8-3-10(12)14(7-15)11(4-8)13(9)6-15/h8-13H,2-7H2,1H3/q+1.
What are the key properties of CID 59649959?
CID 59649959 has a molecular weight of 201.33 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59649959 is sourced from PubChem (CID 59649959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).