CID 90868308

C8H13+ — CID 90868308

IUPAC—
SMILESCCC(C)C1[C+]2CC21
InChIInChI=1S/C8H13/c1-3-5(2)8-6-4-7(6)8/h5-6,8H,3-4H2,1-2H3/q+1
InChIKeySMBZYQPWZRHZJZ-UHFFFAOYSA-N
MW109.19 g/mol
LogP2.26
Rot. Bonds2

About CID 90868308

CID 90868308 (PubChem CID 90868308) has the molecular formula C8H13+ and a molecular weight of 109.19 g/mol.

Molecular Properties

Compound NameCID 90868308
PubChem CID90868308
Molecular FormulaC8H13+
Molecular Weight109.19 g/mol
Exact Mass109.10
IUPAC Name—
SMILESCCC(C)C1[C+]2CC21
InChIInChI=1S/C8H13/c1-3-5(2)8-6-4-7(6)8/h5-6,8H,3-4H2,1-2H3/q+1
InChIKeySMBZYQPWZRHZJZ-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.19
LogP ≤ 52.26
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 90868308?
The IUPAC name of CID 90868308 (CID 90868308) is not available.
What is the SMILES notation for CID 90868308?
The canonical SMILES for CID 90868308 is CCC(C)C1[C+]2CC21.
What is the InChIKey of CID 90868308?
The InChIKey is SMBZYQPWZRHZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13/c1-3-5(2)8-6-4-7(6)8/h5-6,8H,3-4H2,1-2H3/q+1.
What are the key properties of CID 90868308?
CID 90868308 has a molecular weight of 109.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90868308 is sourced from PubChem (CID 90868308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).