4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol

C17H36O3 — CID 172545297

IUPAC4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
SMILESCCCCCOCOCCCC(C)CC(C)CC(C)O
InChIInChI=1S/C17H36O3/c1-5-6-7-10-19-14-20-11-8-9-15(2)12-16(3)13-17(4)18/h15-18H,5-14H2,1-4H3
InChIKeyXERHVIPJTHLTFB-UHFFFAOYSA-N
MW288.47 g/mol
LogP4.38
Rot. Bonds14

About 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol

4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol (PubChem CID 172545297) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol.

Molecular Properties

Compound Name4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
PubChem CID172545297
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
SMILESCCCCCOCOCCCC(C)CC(C)CC(C)O
InChIInChI=1S/C17H36O3/c1-5-6-7-10-19-14-20-11-8-9-15(2)12-16(3)13-17(4)18/h15-18H,5-14H2,1-4H3
InChIKeyXERHVIPJTHLTFB-UHFFFAOYSA-N
XLogP4.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 54.38
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

4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168
1-bromo-4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecane
CID 172545087
1-(decoxymethoxy)-14-iodo-4,6,8,10,12-pentamethylpentadecane
CID 172545369
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
1-(4-methylheptoxymethoxy)octane
CID 172535111
18-hexoxy-18-(1-hexoxy-17-hydroxy-5,7,9,11,13,15-hexamethyloctadecoxy)-4,6,8,10,12,14-hexamethyloctadecan-2-ol
CID 176549204
20-heptoxy-20-(1-heptoxy-19-hydroxy-5,7,9,11,13,15,17-heptamethylicosoxy)-4,6,8,10,12,14,16-heptamethylicosan-2-ol
CID 176549186
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
CID 172545057
1-(butoxymethoxy)-6-chloro-4-methylheptane
CID 172535194
magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
CID 172535093

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol?
The IUPAC name of 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol (CID 172545297) is 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol.
What is the SMILES notation for 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol?
The canonical SMILES for 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol is CCCCCOCOCCCC(C)CC(C)CC(C)O.
What is the InChIKey of 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol?
The InChIKey is XERHVIPJTHLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3/c1-5-6-7-10-19-14-20-11-8-9-15(2)12-16(3)13-17(4)18/h15-18H,5-14H2,1-4H3.
What are the key properties of 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol?
4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol has a molecular weight of 288.47 g/mol, XLogP of 4.38, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol is sourced from PubChem (CID 172545297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).