5,5,7,7-tetramethyl-1,4-oxazocan-3-one

C10H19NO2 — CID 156710231

IUPAC5,5,7,7-tetramethyl-1,4-oxazocan-3-one
SMILESCC1(C)COCC(=O)NC(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-9(2)6-10(3,4)11-8(12)5-13-7-9/h5-7H2,1-4H3,(H,11,12)
InChIKeyBTWBURDDLVHPME-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds

About 5,5,7,7-tetramethyl-1,4-oxazocan-3-one

5,5,7,7-tetramethyl-1,4-oxazocan-3-one (PubChem CID 156710231) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 5,5,7,7-tetramethyl-1,4-oxazocan-3-one.

Molecular Properties

Compound Name5,5,7,7-tetramethyl-1,4-oxazocan-3-one
PubChem CID156710231
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name5,5,7,7-tetramethyl-1,4-oxazocan-3-one
SMILESCC1(C)COCC(=O)NC(C)(C)C1
InChIInChI=1S/C10H19NO2/c1-9(2)6-10(3,4)11-8(12)5-13-7-9/h5-7H2,1-4H3,(H,11,12)
InChIKeyBTWBURDDLVHPME-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,7,7-tetramethyl-1,4-oxazocan-3-one?
The IUPAC name of 5,5,7,7-tetramethyl-1,4-oxazocan-3-one (CID 156710231) is 5,5,7,7-tetramethyl-1,4-oxazocan-3-one.
What is the SMILES notation for 5,5,7,7-tetramethyl-1,4-oxazocan-3-one?
The canonical SMILES for 5,5,7,7-tetramethyl-1,4-oxazocan-3-one is CC1(C)COCC(=O)NC(C)(C)C1.
What is the InChIKey of 5,5,7,7-tetramethyl-1,4-oxazocan-3-one?
The InChIKey is BTWBURDDLVHPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)6-10(3,4)11-8(12)5-13-7-9/h5-7H2,1-4H3,(H,11,12).
What are the key properties of 5,5,7,7-tetramethyl-1,4-oxazocan-3-one?
5,5,7,7-tetramethyl-1,4-oxazocan-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7,7-tetramethyl-1,4-oxazocan-3-one is sourced from PubChem (CID 156710231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).