CID 134951808

C5H10O+ — CID 134951808

IUPAC—
SMILESCC[C+]OCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyQZAMYCPYXWKQIJ-UHFFFAOYSA-N
MW86.13 g/mol
LogP1.47
Rot. Bonds3

About CID 134951808

CID 134951808 (PubChem CID 134951808) has the molecular formula C5H10O+ and a molecular weight of 86.13 g/mol.

Molecular Properties

Compound NameCID 134951808
PubChem CID134951808
Molecular FormulaC5H10O+
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name—
SMILESCC[C+]OCC
InChIInChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1
InChIKeyQZAMYCPYXWKQIJ-UHFFFAOYSA-N
XLogP1.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Diethyl Ether
CID 3283
Diisopropyl Ether
CID 7914
Propyl ether
CID 8114
2-Ethoxybutane
CID 17586
Butyl methyl ether
CID 12338
Methyl propyl ether
CID 11182
Ethyl butyl ether
CID 12355
Ethyl isopropyl ether
CID 12256
Propane, 1-(1-methylethoxy)-
CID 12304
Ethyl propyl ether
CID 12340
1-Ethoxy-2-methylpropane
CID 69386
2,2'-Oxybis((2H5)ethane)
CID 2723765

Frequently Asked Questions

What is the IUPAC name of CID 134951808?
The IUPAC name of CID 134951808 (CID 134951808) is not available.
What is the SMILES notation for CID 134951808?
The canonical SMILES for CID 134951808 is CC[C+]OCC.
What is the InChIKey of CID 134951808?
The InChIKey is QZAMYCPYXWKQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5-6-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of CID 134951808?
CID 134951808 has a molecular weight of 86.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134951808 is sourced from PubChem (CID 134951808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).