7-(methoxymethyl)nonan-4-one

C11H22O2 — CID 123531318

IUPAC7-(methoxymethyl)nonan-4-one
SMILESCCCC(=O)CCC(CC)COC
InChIInChI=1S/C11H22O2/c1-4-6-11(12)8-7-10(5-2)9-13-3/h10H,4-9H2,1-3H3
InChIKeyVFXUBBDDZKDWOH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.81
Rot. Bonds8

About 7-(methoxymethyl)nonan-4-one

7-(methoxymethyl)nonan-4-one (PubChem CID 123531318) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 7-(methoxymethyl)nonan-4-one.

Molecular Properties

Compound Name7-(methoxymethyl)nonan-4-one
PubChem CID123531318
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name7-(methoxymethyl)nonan-4-one
SMILESCCCC(=O)CCC(CC)COC
InChIInChI=1S/C11H22O2/c1-4-6-11(12)8-7-10(5-2)9-13-3/h10H,4-9H2,1-3H3
InChIKeyVFXUBBDDZKDWOH-UHFFFAOYSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethylnonan-4-one
CID 537776
9-ethylundecane-4,6-dione
CID 175392725
9-ethylundecane-3,6-dione
CID 174193885
1-methoxy-2-(methoxymethyl)butane
CID 23295181
2-ethylhexyl butanoate;2-methoxyethanol
CID 174874181
7-(methoxymethyl)henicos-1-ene-5,10-dione
CID 139549646
6-(methoxymethyl)dec-1-en-3-one
CID 123986515
7-ethenyl-8-methyldecan-4-one
CID 176967408
1-[(2-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
4-ethyl-1-methoxy-2-(methoxymethyl)hexane
CID 174960180
2-ethylhexyl 2-amino-5-methoxypentanoate
CID 81086073
2-methyl-5-oxooctanal
CID 155026119

Frequently Asked Questions

What is the IUPAC name of 7-(methoxymethyl)nonan-4-one?
The IUPAC name of 7-(methoxymethyl)nonan-4-one (CID 123531318) is 7-(methoxymethyl)nonan-4-one.
What is the SMILES notation for 7-(methoxymethyl)nonan-4-one?
The canonical SMILES for 7-(methoxymethyl)nonan-4-one is CCCC(=O)CCC(CC)COC.
What is the InChIKey of 7-(methoxymethyl)nonan-4-one?
The InChIKey is VFXUBBDDZKDWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-11(12)8-7-10(5-2)9-13-3/h10H,4-9H2,1-3H3.
What are the key properties of 7-(methoxymethyl)nonan-4-one?
7-(methoxymethyl)nonan-4-one has a molecular weight of 186.29 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methoxymethyl)nonan-4-one is sourced from PubChem (CID 123531318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).