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

C21H44O3 — CID 172545168

IUPAC4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
SMILESCCCCCCCCCOCOCCCC(C)CC(C)CC(C)O
InChIInChI=1S/C21H44O3/c1-5-6-7-8-9-10-11-14-23-18-24-15-12-13-19(2)16-20(3)17-21(4)22/h19-22H,5-18H2,1-4H3
InChIKeyKJROTFIXSVQDMP-UHFFFAOYSA-N
MW344.58 g/mol
LogP5.94
Rot. Bonds18

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

4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol (PubChem CID 172545168) has the molecular formula C21H44O3 and a molecular weight of 344.58 g/mol. Its IUPAC name is 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol.

Molecular Properties

Compound Name4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
PubChem CID172545168
Molecular FormulaC21H44O3
Molecular Weight344.58 g/mol
Exact Mass344.33
IUPAC Name4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
SMILESCCCCCCCCCOCOCCCC(C)CC(C)CC(C)O
InChIInChI=1S/C21H44O3/c1-5-6-7-8-9-10-11-14-23-18-24-15-12-13-19(2)16-20(3)17-21(4)22/h19-22H,5-18H2,1-4H3
InChIKeyKJROTFIXSVQDMP-UHFFFAOYSA-N
XLogP5.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.58
LogP ≤ 55.94
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'}

Analyze 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
4,6-dimethyl-9-(pentoxymethoxy)nonan-2-ol
CID 172545297
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-(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
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
magnesium;1-(heptoxymethoxy)-4-methylheptane;iodide
CID 172535246
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
CID 172545057
(2S)-1-octoxypropan-2-ol
CID 55250295

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol?
The IUPAC name of 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol (CID 172545168) is 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol.
What is the SMILES notation for 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol?
The canonical SMILES for 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol is CCCCCCCCCOCOCCCC(C)CC(C)CC(C)O.
What is the InChIKey of 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol?
The InChIKey is KJROTFIXSVQDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O3/c1-5-6-7-8-9-10-11-14-23-18-24-15-12-13-19(2)16-20(3)17-21(4)22/h19-22H,5-18H2,1-4H3.
What are the key properties of 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol?
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol has a molecular weight of 344.58 g/mol, XLogP of 5.94, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol is sourced from PubChem (CID 172545168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).