6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane

C66H162O9 — CID 158388526

IUPAC6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)CCCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCCOCCCOCCCOCCCOC(C)(C)C.COCCCOCCCCCC(C)(C)C
InChIInChI=1S/C22H46O4.C19H40O3.C13H28O2.12CH4/c1-21(2,3)13-8-7-9-14-23-15-10-16-24-17-11-18-25-19-12-20-26-22(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-15-21-16-11-17-22-19(4,5)6;1-13(2,3)9-6-5-7-11-15-12-8-10-14-4;;;;;;;;;;;;/h7-20H2,1-6H3;7-17H2,1-6H3;5-12H2,1-4H3;12*1H4
InChIKeyGWQSLEDHTHYOCM-UHFFFAOYSA-N
MW1100.01 g/mol
LogP22.13
Rot. Bonds39

About 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane

6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane (PubChem CID 158388526) has the molecular formula C66H162O9 and a molecular weight of 1100.01 g/mol. Its IUPAC name is 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane.

Molecular Properties

Compound Name6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane
PubChem CID158388526
Molecular FormulaC66H162O9
Molecular Weight1100.01 g/mol
Exact Mass1099.22
IUPAC Name6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane
SMILESC.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)CCCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCCOCCCOCCCOCCCOC(C)(C)C.COCCCOCCCCCC(C)(C)C
InChIInChI=1S/C22H46O4.C19H40O3.C13H28O2.12CH4/c1-21(2,3)13-8-7-9-14-23-15-10-16-24-17-11-18-25-19-12-20-26-22(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-15-21-16-11-17-22-19(4,5)6;1-13(2,3)9-6-5-7-11-15-12-8-10-14-4;;;;;;;;;;;;/h7-20H2,1-6H3;7-17H2,1-6H3;5-12H2,1-4H3;12*1H4
InChIKeyGWQSLEDHTHYOCM-UHFFFAOYSA-N
XLogP22.13
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds39
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001100.01
LogP ≤ 522.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane?
The IUPAC name of 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane (CID 158388526) is 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane.
What is the SMILES notation for 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane?
The canonical SMILES for 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane is C.C.C.C.C.C.C.C.C.C.C.C.CC(C)(C)CCCCCOCCCOCCCOC(C)(C)C.CC(C)(C)CCCCCOCCCOCCCOCCCOC(C)(C)C.COCCCOCCCCCC(C)(C)C.
What is the InChIKey of 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane?
The InChIKey is GWQSLEDHTHYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O4.C19H40O3.C13H28O2.12CH4/c1-21(2,3)13-8-7-9-14-23-15-10-16-24-17-11-18-25-19-12-20-26-22(4,5)6;1-18(2,3)12-8-7-9-13-20-14-10-15-21-16-11-17-22-19(4,5)6;1-13(2,3)9-6-5-7-11-15-12-8-10-14-4;;;;;;;;;;;;/h7-20H2,1-6H3;7-17H2,1-6H3;5-12H2,1-4H3;12*1H4.
What are the key properties of 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane?
6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane has a molecular weight of 1100.01 g/mol, XLogP of 22.13, 39 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]heptane;6,6-dimethyl-1-[3-[3-[3-[(2-methylpropan-2-yl)oxy]propoxy]propoxy]propoxy]heptane;methane;1-(3-methoxypropoxy)-6,6-dimethylheptane is sourced from PubChem (CID 158388526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).