1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane

C16H33ClO2 — CID 172545343

IUPAC1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
SMILESCCCCOCOCCCC(C)CC(C)CC(C)Cl
InChIInChI=1S/C16H33ClO2/c1-5-6-9-18-13-19-10-7-8-14(2)11-15(3)12-16(4)17/h14-16H,5-13H2,1-4H3
InChIKeyGZCMWHQEFBLUPQ-UHFFFAOYSA-N
MW292.89 g/mol
LogP5.24
Rot. Bonds13

About 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane

1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane (PubChem CID 172545343) has the molecular formula C16H33ClO2 and a molecular weight of 292.89 g/mol. Its IUPAC name is 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane.

Molecular Properties

Compound Name1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
PubChem CID172545343
Molecular FormulaC16H33ClO2
Molecular Weight292.89 g/mol
Exact Mass292.22
IUPAC Name1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane
SMILESCCCCOCOCCCC(C)CC(C)CC(C)Cl
InChIInChI=1S/C16H33ClO2/c1-5-6-9-18-13-19-10-7-8-14(2)11-15(3)12-16(4)17/h14-16H,5-13H2,1-4H3
InChIKeyGZCMWHQEFBLUPQ-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.89
LogP ≤ 55.24
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)-6-chloro-4-methylheptane
CID 172535194
8-chloro-4,6-dimethyl-1-(propoxymethoxy)nonane
CID 172545057
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
2-chloro-4-methylhexadecane
CID 64720574
2-chloro-4-methyldecane
CID 64720351
1-(4-methylheptoxymethoxy)octane
CID 172535111
magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
CID 172535093

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane?
The IUPAC name of 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane (CID 172545343) is 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane.
What is the SMILES notation for 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane?
The canonical SMILES for 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane is CCCCOCOCCCC(C)CC(C)CC(C)Cl.
What is the InChIKey of 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane?
The InChIKey is GZCMWHQEFBLUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClO2/c1-5-6-9-18-13-19-10-7-8-14(2)11-15(3)12-16(4)17/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane?
1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane has a molecular weight of 292.89 g/mol, XLogP of 5.24, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethoxy)-8-chloro-4,6-dimethylnonane is sourced from PubChem (CID 172545343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).