CID 162401464

C5H10O+ — CID 162401464

IUPAC—
SMILESCC1CC1(C)[OH+]
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/q+1
InChIKeyDBTQUJVVNHRWOK-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.78
Rot. Bonds

About CID 162401464

CID 162401464 (PubChem CID 162401464) has the molecular formula C5H10O+ and a molecular weight of 86.13 g/mol.

Molecular Properties

Compound NameCID 162401464
PubChem CID162401464
Molecular FormulaC5H10O+
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name—
SMILESCC1CC1(C)[OH+]
InChIInChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/q+1
InChIKeyDBTQUJVVNHRWOK-UHFFFAOYSA-N
XLogP0.78
TPSA21.40 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 162401464?
The IUPAC name of CID 162401464 (CID 162401464) is not available.
What is the SMILES notation for CID 162401464?
The canonical SMILES for CID 162401464 is CC1CC1(C)[OH+].
What is the InChIKey of CID 162401464?
The InChIKey is DBTQUJVVNHRWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-3-5(4,2)6/h4,6H,3H2,1-2H3/q+1.
What are the key properties of CID 162401464?
CID 162401464 has a molecular weight of 86.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162401464 is sourced from PubChem (CID 162401464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).