8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane

C10H20NO+ — CID 123658178

IUPAC8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane
SMILESCC(C)[N+]1(C)C2CCC1COC2
InChIInChI=1S/C10H20NO/c1-8(2)11(3)9-4-5-10(11)7-12-6-9/h8-10H,4-7H2,1-3H3/q+1
InChIKeyMOCBQPCFCHAVLT-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.40
Rot. Bonds1

About 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane

8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane (PubChem CID 123658178) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane
PubChem CID123658178
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane
SMILESCC(C)[N+]1(C)C2CCC1COC2
InChIInChI=1S/C10H20NO/c1-8(2)11(3)9-4-5-10(11)7-12-6-9/h8-10H,4-7H2,1-3H3/q+1
InChIKeyMOCBQPCFCHAVLT-UHFFFAOYSA-N
XLogP1.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
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-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane (CID 123658178) is 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane is CC(C)[N+]1(C)C2CCC1COC2.
What is the InChIKey of 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane?
The InChIKey is MOCBQPCFCHAVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO/c1-8(2)11(3)9-4-5-10(11)7-12-6-9/h8-10H,4-7H2,1-3H3/q+1.
What are the key properties of 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane?
8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane has a molecular weight of 170.28 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-propan-2-yl-3-oxa-8-azoniabicyclo[3.2.1]octane is sourced from PubChem (CID 123658178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).