2,2-dimethyl-6-morpholin-4-ylhexan-3-one

C12H23NO2 — CID 70846877

IUPAC2,2-dimethyl-6-morpholin-4-ylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-10H2,1-3H3
InChIKeyONXXUTLOBQVFAD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds4

About 2,2-dimethyl-6-morpholin-4-ylhexan-3-one

2,2-dimethyl-6-morpholin-4-ylhexan-3-one (PubChem CID 70846877) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-6-morpholin-4-ylhexan-3-one.

Molecular Properties

Compound Name2,2-dimethyl-6-morpholin-4-ylhexan-3-one
PubChem CID70846877
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethyl-6-morpholin-4-ylhexan-3-one
SMILESCC(C)(C)C(=O)CCCN1CCOCC1
InChIInChI=1S/C12H23NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-10H2,1-3H3
InChIKeyONXXUTLOBQVFAD-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-morpholin-4-ylhexan-3-one?
The IUPAC name of 2,2-dimethyl-6-morpholin-4-ylhexan-3-one (CID 70846877) is 2,2-dimethyl-6-morpholin-4-ylhexan-3-one.
What is the SMILES notation for 2,2-dimethyl-6-morpholin-4-ylhexan-3-one?
The canonical SMILES for 2,2-dimethyl-6-morpholin-4-ylhexan-3-one is CC(C)(C)C(=O)CCCN1CCOCC1.
What is the InChIKey of 2,2-dimethyl-6-morpholin-4-ylhexan-3-one?
The InChIKey is ONXXUTLOBQVFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2,3)11(14)5-4-6-13-7-9-15-10-8-13/h4-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-morpholin-4-ylhexan-3-one?
2,2-dimethyl-6-morpholin-4-ylhexan-3-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-morpholin-4-ylhexan-3-one is sourced from PubChem (CID 70846877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).