5,8,8-trimethyl-1,5-oxazonane

C10H21NO — CID 126542335

IUPAC5,8,8-trimethyl-1,5-oxazonane
SMILESCN1CCCOCC(C)(C)CC1
InChIInChI=1S/C10H21NO/c1-10(2)5-7-11(3)6-4-8-12-9-10/h4-9H2,1-3H3
InChIKeyHOFUMAGBWBEKGS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.75
Rot. Bonds

About 5,8,8-trimethyl-1,5-oxazonane

5,8,8-trimethyl-1,5-oxazonane (PubChem CID 126542335) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 5,8,8-trimethyl-1,5-oxazonane.

Molecular Properties

Compound Name5,8,8-trimethyl-1,5-oxazonane
PubChem CID126542335
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name5,8,8-trimethyl-1,5-oxazonane
SMILESCN1CCCOCC(C)(C)CC1
InChIInChI=1S/C10H21NO/c1-10(2)5-7-11(3)6-4-8-12-9-10/h4-9H2,1-3H3
InChIKeyHOFUMAGBWBEKGS-UHFFFAOYSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-1,5-oxazonane?
The IUPAC name of 5,8,8-trimethyl-1,5-oxazonane (CID 126542335) is 5,8,8-trimethyl-1,5-oxazonane.
What is the SMILES notation for 5,8,8-trimethyl-1,5-oxazonane?
The canonical SMILES for 5,8,8-trimethyl-1,5-oxazonane is CN1CCCOCC(C)(C)CC1.
What is the InChIKey of 5,8,8-trimethyl-1,5-oxazonane?
The InChIKey is HOFUMAGBWBEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-10(2)5-7-11(3)6-4-8-12-9-10/h4-9H2,1-3H3.
What are the key properties of 5,8,8-trimethyl-1,5-oxazonane?
5,8,8-trimethyl-1,5-oxazonane has a molecular weight of 171.28 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-1,5-oxazonane is sourced from PubChem (CID 126542335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).