CID 101086854

C5H10O+ — CID 101086854

IUPAC—
SMILES[H]/[O+]=C(\C)C[CH]C
InChIInChI=1S/C5H9O/c1-3-4-5(2)6/h3H,4H2,1-2H3/p+1
InChIKeyBPHHLJSZOPBOFF-UHFFFAOYSA-O
MW86.13 g/mol
LogP1.17
Rot. Bonds2

About CID 101086854

CID 101086854 (PubChem CID 101086854) has the molecular formula C5H10O+ and a molecular weight of 86.13 g/mol.

Molecular Properties

Compound NameCID 101086854
PubChem CID101086854
Molecular FormulaC5H10O+
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name—
SMILES[H]/[O+]=C(\C)C[CH]C
InChIInChI=1S/C5H9O/c1-3-4-5(2)6/h3H,4H2,1-2H3/p+1
InChIKeyBPHHLJSZOPBOFF-UHFFFAOYSA-O
XLogP1.17
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 101086854?
The IUPAC name of CID 101086854 (CID 101086854) is not available.
What is the SMILES notation for CID 101086854?
The canonical SMILES for CID 101086854 is [H]/[O+]=C(\C)C[CH]C.
What is the InChIKey of CID 101086854?
The InChIKey is BPHHLJSZOPBOFF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O/c1-3-4-5(2)6/h3H,4H2,1-2H3/p+1.
What are the key properties of CID 101086854?
CID 101086854 has a molecular weight of 86.13 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101086854 is sourced from PubChem (CID 101086854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).