1-(4-methylheptoxymethoxy)octane

C17H36O2 — CID 172535111

IUPAC1-(4-methylheptoxymethoxy)octane
SMILESCCCCCCCCOCOCCCC(C)CCC
InChIInChI=1S/C17H36O2/c1-4-6-7-8-9-10-14-18-16-19-15-11-13-17(3)12-5-2/h17H,4-16H2,1-3H3
InChIKeyFBAKTWBIZCOQEZ-UHFFFAOYSA-N
MW272.47 g/mol
LogP5.55
Rot. Bonds15

About 1-(4-methylheptoxymethoxy)octane

1-(4-methylheptoxymethoxy)octane (PubChem CID 172535111) has the molecular formula C17H36O2 and a molecular weight of 272.47 g/mol. Its IUPAC name is 1-(4-methylheptoxymethoxy)octane.

Molecular Properties

Compound Name1-(4-methylheptoxymethoxy)octane
PubChem CID172535111
Molecular FormulaC17H36O2
Molecular Weight272.47 g/mol
Exact Mass272.27
IUPAC Name1-(4-methylheptoxymethoxy)octane
SMILESCCCCCCCCOCOCCCC(C)CCC
InChIInChI=1S/C17H36O2/c1-4-6-7-8-9-10-14-18-16-19-15-11-13-17(3)12-5-2/h17H,4-16H2,1-3H3
InChIKeyFBAKTWBIZCOQEZ-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

magnesium;1-(heptoxymethoxy)-4-methylheptane;iodide
CID 172535246
1-[(6-chloro-4-methylheptoxy)methoxy]nonane
CID 172535231
1-(4-iodopentoxymethoxy)decane
CID 172535184
magnesium;4-methyl-1-(pentoxymethoxy)heptane;iodide
CID 172535093
4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecan-2-ol
CID 172545315
1-bromo-4,6,8,10,12,14-hexamethyl-17-(octoxymethoxy)heptadecane
CID 172545087
4,6-dimethyl-9-(nonoxymethoxy)nonan-2-ol
CID 172545168
1-(decoxymethoxy)-14-iodo-4,6,8,10,12-pentamethylpentadecane
CID 172545369
(4R)-4-methyldecane
CID 57191620
4-methyltritriacontane
CID 71346224
4,9-dimethylpentadecane
CID 123851930
4-methyloctadecane
CID 517866

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylheptoxymethoxy)octane?
The IUPAC name of 1-(4-methylheptoxymethoxy)octane (CID 172535111) is 1-(4-methylheptoxymethoxy)octane.
What is the SMILES notation for 1-(4-methylheptoxymethoxy)octane?
The canonical SMILES for 1-(4-methylheptoxymethoxy)octane is CCCCCCCCOCOCCCC(C)CCC.
What is the InChIKey of 1-(4-methylheptoxymethoxy)octane?
The InChIKey is FBAKTWBIZCOQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2/c1-4-6-7-8-9-10-14-18-16-19-15-11-13-17(3)12-5-2/h17H,4-16H2,1-3H3.
What are the key properties of 1-(4-methylheptoxymethoxy)octane?
1-(4-methylheptoxymethoxy)octane has a molecular weight of 272.47 g/mol, XLogP of 5.55, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylheptoxymethoxy)octane is sourced from PubChem (CID 172535111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).