17-methoxyheptadecan-2-one

C18H36O2 — CID 59530855

IUPAC17-methoxyheptadecan-2-one
SMILESCOCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C18H36O2/c1-18(19)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-2/h3-17H2,1-2H3
InChIKeySYWXAYKQUFQOOB-UHFFFAOYSA-N
MW284.48 g/mol
LogP5.68
Rot. Bonds16

About 17-methoxyheptadecan-2-one

17-methoxyheptadecan-2-one (PubChem CID 59530855) has the molecular formula C18H36O2 and a molecular weight of 284.48 g/mol. Its IUPAC name is 17-methoxyheptadecan-2-one.

Molecular Properties

Compound Name17-methoxyheptadecan-2-one
PubChem CID59530855
Molecular FormulaC18H36O2
Molecular Weight284.48 g/mol
Exact Mass284.27
IUPAC Name17-methoxyheptadecan-2-one
SMILESCOCCCCCCCCCCCCCCCC(C)=O
InChIInChI=1S/C18H36O2/c1-18(19)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-2/h3-17H2,1-2H3
InChIKeySYWXAYKQUFQOOB-UHFFFAOYSA-N
XLogP5.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.48
LogP ≤ 55.68
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

5-methoxypentan-2-one acetate
CID 123446374
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
4-methoxybutyl 5-oxohexanoate
CID 162425985
6-(3-methoxypropylsulfanyl)hexan-2-one
CID 63855950
6-methoxyhexyl 4-oxopentanoate
CID 89458517
8-[4-(3-methoxypropyl)piperazin-1-yl]octan-2-one
CID 171083706
12-methoxydodecanoyl 12-methoxydodecanoate
CID 57114790
7-methoxy-2-oxoheptanoic acid
CID 91618473
9-(hydroxymethoxy)nonan-2-one
CID 171562629
methyl 7-oxooctanoate
CID 539108
11-butoxyundecan-2-one
CID 175547866

Frequently Asked Questions

What is the IUPAC name of 17-methoxyheptadecan-2-one?
The IUPAC name of 17-methoxyheptadecan-2-one (CID 59530855) is 17-methoxyheptadecan-2-one.
What is the SMILES notation for 17-methoxyheptadecan-2-one?
The canonical SMILES for 17-methoxyheptadecan-2-one is COCCCCCCCCCCCCCCCC(C)=O.
What is the InChIKey of 17-methoxyheptadecan-2-one?
The InChIKey is SYWXAYKQUFQOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2/c1-18(19)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-2/h3-17H2,1-2H3.
What are the key properties of 17-methoxyheptadecan-2-one?
17-methoxyheptadecan-2-one has a molecular weight of 284.48 g/mol, XLogP of 5.68, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methoxyheptadecan-2-one is sourced from PubChem (CID 59530855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).