9-(hydroxymethoxy)nonan-2-one

C10H20O3 — CID 171562629

IUPAC9-(hydroxymethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOCO
InChIInChI=1S/C10H20O3/c1-10(12)7-5-3-2-4-6-8-13-9-11/h11H,2-9H2,1H3
InChIKeyWXHAZNPOCPEFFU-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds9

About 9-(hydroxymethoxy)nonan-2-one

9-(hydroxymethoxy)nonan-2-one (PubChem CID 171562629) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 9-(hydroxymethoxy)nonan-2-one.

Molecular Properties

Compound Name9-(hydroxymethoxy)nonan-2-one
PubChem CID171562629
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name9-(hydroxymethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOCO
InChIInChI=1S/C10H20O3/c1-10(12)7-5-3-2-4-6-8-13-9-11/h11H,2-9H2,1H3
InChIKeyWXHAZNPOCPEFFU-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

7-hexoxyheptan-2-one
CID 122428493
11-butoxyundecan-2-one
CID 175547866
7-(6-aminohexoxy)heptan-2-one
CID 146201806
pentadecane-2,14-dione
CID 10966641
docosane-2,21-dione
CID 537416
7-(2-methylpropoxy)heptan-2-one
CID 170366767
17-methoxyheptadecan-2-one
CID 59530855
6-[2-(2-propoxyethoxy)ethoxy]hexan-2-one
CID 58427327
6-(2,2,2-trifluoroethoxy)hexan-2-one
CID 43793499
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
4-nonoxybutan-2-one
CID 175477614

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethoxy)nonan-2-one?
The IUPAC name of 9-(hydroxymethoxy)nonan-2-one (CID 171562629) is 9-(hydroxymethoxy)nonan-2-one.
What is the SMILES notation for 9-(hydroxymethoxy)nonan-2-one?
The canonical SMILES for 9-(hydroxymethoxy)nonan-2-one is CC(=O)CCCCCCCOCO.
What is the InChIKey of 9-(hydroxymethoxy)nonan-2-one?
The InChIKey is WXHAZNPOCPEFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-10(12)7-5-3-2-4-6-8-13-9-11/h11H,2-9H2,1H3.
What are the key properties of 9-(hydroxymethoxy)nonan-2-one?
9-(hydroxymethoxy)nonan-2-one has a molecular weight of 188.27 g/mol, XLogP of 1.88, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethoxy)nonan-2-one is sourced from PubChem (CID 171562629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).