1-methoxynonan-4-one

C10H20O2 — CID 65091900

IUPAC1-methoxynonan-4-one
SMILESCCCCCC(=O)CCCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-7-10(11)8-6-9-12-2/h3-9H2,1-2H3
InChIKeyPERVEIWPIBYNHD-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.56
Rot. Bonds8

About 1-methoxynonan-4-one

1-methoxynonan-4-one (PubChem CID 65091900) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methoxynonan-4-one.

Molecular Properties

Compound Name1-methoxynonan-4-one
PubChem CID65091900
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-methoxynonan-4-one
SMILESCCCCCC(=O)CCCOC
InChIInChI=1S/C10H20O2/c1-3-4-5-7-10(11)8-6-9-12-2/h3-9H2,1-2H3
InChIKeyPERVEIWPIBYNHD-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxytridecan-3-one
CID 62620260
pentacosan-7-one
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pentacosane-7,19-dione
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nonadecan-7-one
CID 12913434
nonatriacontane-8,29-dione
CID 150237018
pentadecan-8-one
CID 13162
tricosan-12-one
CID 10888
octacosan-8-one
CID 86052342
1-bromo-5-methoxypentan-2-one
CID 12794990
1-propoxyhenicosan-4-one
CID 157232243
1-(2-methoxyethoxy)heptan-3-one
CID 102927335
dodecan-5-one
CID 29771

Frequently Asked Questions

What is the IUPAC name of 1-methoxynonan-4-one?
The IUPAC name of 1-methoxynonan-4-one (CID 65091900) is 1-methoxynonan-4-one.
What is the SMILES notation for 1-methoxynonan-4-one?
The canonical SMILES for 1-methoxynonan-4-one is CCCCCC(=O)CCCOC.
What is the InChIKey of 1-methoxynonan-4-one?
The InChIKey is PERVEIWPIBYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-4-5-7-10(11)8-6-9-12-2/h3-9H2,1-2H3.
What are the key properties of 1-methoxynonan-4-one?
1-methoxynonan-4-one has a molecular weight of 172.27 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxynonan-4-one is sourced from PubChem (CID 65091900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).