6-methyl-1-(2-methylpropoxy)heptane

C12H26O — CID 58371735

IUPAC6-methyl-1-(2-methylpropoxy)heptane
SMILESCC(C)CCCCCOCC(C)C
InChIInChI=1S/C12H26O/c1-11(2)8-6-5-7-9-13-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyCHNGYLRARPLIJC-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.88
Rot. Bonds8

About 6-methyl-1-(2-methylpropoxy)heptane

6-methyl-1-(2-methylpropoxy)heptane (PubChem CID 58371735) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 6-methyl-1-(2-methylpropoxy)heptane.

Molecular Properties

Compound Name6-methyl-1-(2-methylpropoxy)heptane
PubChem CID58371735
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name6-methyl-1-(2-methylpropoxy)heptane
SMILESCC(C)CCCCCOCC(C)C
InChIInChI=1S/C12H26O/c1-11(2)8-6-5-7-9-13-10-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyCHNGYLRARPLIJC-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[3-(2-methylpropoxy)propoxy]heptane
CID 171593627
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
3-methyl-1-[3-(2-methylpropoxy)propoxy]butane
CID 171414218
1-ethoxy-17-methyloctadecane
CID 91042875
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
2,4-dimethylpentane;methane;4-methyl-1-(2-methylpropoxy)pentane;2-methylpropane
CID 158163222
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
7-methyloctyl 4-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butanoate
CID 140909679

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methylpropoxy)heptane?
The IUPAC name of 6-methyl-1-(2-methylpropoxy)heptane (CID 58371735) is 6-methyl-1-(2-methylpropoxy)heptane.
What is the SMILES notation for 6-methyl-1-(2-methylpropoxy)heptane?
The canonical SMILES for 6-methyl-1-(2-methylpropoxy)heptane is CC(C)CCCCCOCC(C)C.
What is the InChIKey of 6-methyl-1-(2-methylpropoxy)heptane?
The InChIKey is CHNGYLRARPLIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-11(2)8-6-5-7-9-13-10-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 6-methyl-1-(2-methylpropoxy)heptane?
6-methyl-1-(2-methylpropoxy)heptane has a molecular weight of 186.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methylpropoxy)heptane is sourced from PubChem (CID 58371735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).