8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane

C15H31ClO2 — CID 172545057

IUPAC8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
SMILESCCCOCOCCCC(C)CC(C)CC(C)Cl
InChIInChI=1S/C15H31ClO2/c1-5-8-17-12-18-9-6-7-13(2)10-14(3)11-15(4)16/h13-15H,5-12H2,1-4H3
InChIKeyXJYRPUJXYZLOLM-UHFFFAOYSA-N
MW278.86 g/mol
LogP4.85
Rot. Bonds12

About 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane

8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane (PubChem CID 172545057) has the molecular formula C15H31ClO2 and a molecular weight of 278.86 g/mol. Its IUPAC name is 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane.

Molecular Properties

Compound Name8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
PubChem CID172545057
Molecular FormulaC15H31ClO2
Molecular Weight278.86 g/mol
Exact Mass278.20
IUPAC Name8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
SMILESCCCOCOCCCC(C)CC(C)CC(C)Cl
InChIInChI=1S/C15H31ClO2/c1-5-8-17-12-18-9-6-7-13(2)10-14(3)11-15(4)16/h13-15H,5-12H2,1-4H3
InChIKeyXJYRPUJXYZLOLM-UHFFFAOYSA-N
XLogP4.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.86
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
CID 172545343
1-(butoxymethoxy)-6-chloro-4-methylheptane
CID 172535194
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
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
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168
4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
magnesium;4-methyl-1-(propoxymethoxy)heptane;iodide
CID 172535159
2-chloro-4-methylhexadecane
CID 64720574
2-chloro-4-methyldecane
CID 64720351
1-(4-methylheptoxymethoxy)octane
CID 172535111

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane?
The IUPAC name of 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane (CID 172545057) is 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane.
What is the SMILES notation for 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane?
The canonical SMILES for 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane is CCCOCOCCCC(C)CC(C)CC(C)Cl.
What is the InChIKey of 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane?
The InChIKey is XJYRPUJXYZLOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31ClO2/c1-5-8-17-12-18-9-6-7-13(2)10-14(3)11-15(4)16/h13-15H,5-12H2,1-4H3.
What are the key properties of 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane?
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane has a molecular weight of 278.86 g/mol, XLogP of 4.85, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane is sourced from PubChem (CID 172545057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).