6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane

C15H32O2 — CID 171593627

IUPAC6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
SMILESCC(C)CCCCCOCCCOCC(C)C
InChIInChI=1S/C15H32O2/c1-14(2)9-6-5-7-10-16-11-8-12-17-13-15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyYRKMYDVDTLZPCI-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.28
Rot. Bonds12

About 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane

6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane (PubChem CID 171593627) has the molecular formula C15H32O2 and a molecular weight of 244.42 g/mol. Its IUPAC name is 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane.

Molecular Properties

Compound Name6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
PubChem CID171593627
Molecular FormulaC15H32O2
Molecular Weight244.42 g/mol
Exact Mass244.24
IUPAC Name6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane
SMILESCC(C)CCCCCOCCCOCC(C)C
InChIInChI=1S/C15H32O2/c1-14(2)9-6-5-7-10-16-11-8-12-17-13-15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyYRKMYDVDTLZPCI-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.28
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

7-methyl-1-(2-methylpropoxy)octane
CID 23222552
6-methyl-1-(2-methylpropoxy)heptane
CID 58371735
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
6-[2-(2-methylpropoxy)ethoxy]hexan-2-ol
CID 106448667
7-methyloctyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 140909679
1-(6-bromohexoxy)-5-methylhexane
CID 19987541
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane?
The IUPAC name of 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane (CID 171593627) is 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane.
What is the SMILES notation for 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane?
The canonical SMILES for 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane is CC(C)CCCCCOCCCOCC(C)C.
What is the InChIKey of 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane?
The InChIKey is YRKMYDVDTLZPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O2/c1-14(2)9-6-5-7-10-16-11-8-12-17-13-15(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane?
6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane has a molecular weight of 244.42 g/mol, XLogP of 4.28, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[3-(2-methylpropoxy)propoxy]heptane is sourced from PubChem (CID 171593627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).