6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane

C18H38O2 — CID 150695983

IUPAC6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
SMILESCC(C)CCCCCOCCOCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-17(2)11-7-5-9-13-19-15-16-20-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyJKVWDRMFIQTAQL-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.45
Rot. Bonds15

About 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane

6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane (PubChem CID 150695983) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane.

Molecular Properties

Compound Name6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
PubChem CID150695983
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
SMILESCC(C)CCCCCOCCOCCCCCC(C)C
InChIInChI=1S/C18H38O2/c1-17(2)11-7-5-9-13-19-15-16-20-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3
InChIKeyJKVWDRMFIQTAQL-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139989592
2-[2-[2-[2-[2-(6-methylheptoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 87339200
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
7-methyl-1-(2-methylpropoxy)octane
CID 23222552
1-ethoxy-17-methyloctadecane
CID 91042875
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane?
The IUPAC name of 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane (CID 150695983) is 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane.
What is the SMILES notation for 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane?
The canonical SMILES for 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane is CC(C)CCCCCOCCOCCCCCC(C)C.
What is the InChIKey of 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane?
The InChIKey is JKVWDRMFIQTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-17(2)11-7-5-9-13-19-15-16-20-14-10-6-8-12-18(3)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane?
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane has a molecular weight of 286.50 g/mol, XLogP of 5.45, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane is sourced from PubChem (CID 150695983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).