8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride

C9H18ClNO — CID 90200117

IUPAC8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
SMILESC[N+]1(C)C2CCC1CC(O)C2.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-10(2)7-3-4-8(10)6-9(11)5-7;/h7-9,11H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeySMTQKUPCGQYKAK-UHFFFAOYSA-M
MW191.70 g/mol
LogP-2.25
Rot. Bonds

About 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride

8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride (PubChem CID 90200117) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride.

Molecular Properties

Compound Name8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
PubChem CID90200117
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride
SMILESC[N+]1(C)C2CCC1CC(O)C2.[Cl-]
InChIInChI=1S/C9H18NO.ClH/c1-10(2)7-3-4-8(10)6-9(11)5-7;/h7-9,11H,3-6H2,1-2H3;1H/q+1;/p-1
InChIKeySMTQKUPCGQYKAK-UHFFFAOYSA-M
XLogP-2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 5-2.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The IUPAC name of 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride (CID 90200117) is 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride.
What is the SMILES notation for 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The canonical SMILES for 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride is C[N+]1(C)C2CCC1CC(O)C2.[Cl-].
What is the InChIKey of 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
The InChIKey is SMTQKUPCGQYKAK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO.ClH/c1-10(2)7-3-4-8(10)6-9(11)5-7;/h7-9,11H,3-6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride?
8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride has a molecular weight of 191.70 g/mol, XLogP of -2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-ol chloride is sourced from PubChem (CID 90200117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).