3,3-dimethyl-1-morpholin-4-ylhexan-1-one

C12H23NO2 — CID 130292748

IUPAC3,3-dimethyl-1-morpholin-4-ylhexan-1-one
SMILESCCCC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-5-12(2,3)10-11(14)13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeyWBGVQELBIJUCTB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds4

About 3,3-dimethyl-1-morpholin-4-ylhexan-1-one

3,3-dimethyl-1-morpholin-4-ylhexan-1-one (PubChem CID 130292748) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-ylhexan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-ylhexan-1-one
PubChem CID130292748
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3,3-dimethyl-1-morpholin-4-ylhexan-1-one
SMILESCCCC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H23NO2/c1-4-5-12(2,3)10-11(14)13-6-8-15-9-7-13/h4-10H2,1-3H3
InChIKeyWBGVQELBIJUCTB-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-ylhexan-1-one?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-ylhexan-1-one (CID 130292748) is 3,3-dimethyl-1-morpholin-4-ylhexan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-ylhexan-1-one?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-ylhexan-1-one is CCCC(C)(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-ylhexan-1-one?
The InChIKey is WBGVQELBIJUCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-5-12(2,3)10-11(14)13-6-8-15-9-7-13/h4-10H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-ylhexan-1-one?
3,3-dimethyl-1-morpholin-4-ylhexan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-ylhexan-1-one is sourced from PubChem (CID 130292748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).