5-methoxynonan-4-one

C10H20O2 — CID 83225262

IUPAC5-methoxynonan-4-one
SMILESCCCCC(OC)C(=O)CCC
InChIInChI=1S/C10H20O2/c1-4-6-8-10(12-3)9(11)7-5-2/h10H,4-8H2,1-3H3
InChIKeyREGZPVAYXYYPCF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.56
Rot. Bonds7

About 5-methoxynonan-4-one

5-methoxynonan-4-one (PubChem CID 83225262) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-methoxynonan-4-one.

Molecular Properties

Compound Name5-methoxynonan-4-one
PubChem CID83225262
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-methoxynonan-4-one
SMILESCCCCC(OC)C(=O)CCC
InChIInChI=1S/C10H20O2/c1-4-6-8-10(12-3)9(11)7-5-2/h10H,4-8H2,1-3H3
InChIKeyREGZPVAYXYYPCF-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxypentadecan-5-one
CID 116708152
(2S)-2-methoxyhexanoic acid
CID 129373931
4-methoxydecan-3-one
CID 83226087
4-methoxyundecan-3-one
CID 83225236
acetyl 2-methoxyhexanoate
CID 88548292
5-(4-hydroxyphenoxy)nonan-4-one
CID 141059837
2-methoxyhexadecanoic acid
CID 656825
methyl 2-methoxyheptanoate
CID 87952097
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
6-trimethylsilyloxydecan-5-one
CID 101053254
6-methoxynon-1-en-5-one
CID 116708016

Frequently Asked Questions

What is the IUPAC name of 5-methoxynonan-4-one?
The IUPAC name of 5-methoxynonan-4-one (CID 83225262) is 5-methoxynonan-4-one.
What is the SMILES notation for 5-methoxynonan-4-one?
The canonical SMILES for 5-methoxynonan-4-one is CCCCC(OC)C(=O)CCC.
What is the InChIKey of 5-methoxynonan-4-one?
The InChIKey is REGZPVAYXYYPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-6-8-10(12-3)9(11)7-5-2/h10H,4-8H2,1-3H3.
What are the key properties of 5-methoxynonan-4-one?
5-methoxynonan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynonan-4-one is sourced from PubChem (CID 83225262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).