2-methoxy-4,6-dimethyl-4-propoxyheptane

C13H28O2 — CID 135038604

IUPAC2-methoxy-4,6-dimethyl-4-propoxyheptane
SMILESCCCOC(C)(CC(C)C)CC(C)OC
InChIInChI=1S/C13H28O2/c1-7-8-15-13(5,9-11(2)3)10-12(4)14-6/h11-12H,7-10H2,1-6H3
InChIKeyRNFHPTZVNDXZLA-UHFFFAOYSA-N
MW216.36 g/mol
LogP3.64
Rot. Bonds8

About 2-methoxy-4,6-dimethyl-4-propoxyheptane

2-methoxy-4,6-dimethyl-4-propoxyheptane (PubChem CID 135038604) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethyl-4-propoxyheptane.

Molecular Properties

Compound Name2-methoxy-4,6-dimethyl-4-propoxyheptane
PubChem CID135038604
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Name2-methoxy-4,6-dimethyl-4-propoxyheptane
SMILESCCCOC(C)(CC(C)C)CC(C)OC
InChIInChI=1S/C13H28O2/c1-7-8-15-13(5,9-11(2)3)10-12(4)14-6/h11-12H,7-10H2,1-6H3
InChIKeyRNFHPTZVNDXZLA-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethyl-4-propoxyheptane?
The IUPAC name of 2-methoxy-4,6-dimethyl-4-propoxyheptane (CID 135038604) is 2-methoxy-4,6-dimethyl-4-propoxyheptane.
What is the SMILES notation for 2-methoxy-4,6-dimethyl-4-propoxyheptane?
The canonical SMILES for 2-methoxy-4,6-dimethyl-4-propoxyheptane is CCCOC(C)(CC(C)C)CC(C)OC.
What is the InChIKey of 2-methoxy-4,6-dimethyl-4-propoxyheptane?
The InChIKey is RNFHPTZVNDXZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2/c1-7-8-15-13(5,9-11(2)3)10-12(4)14-6/h11-12H,7-10H2,1-6H3.
What are the key properties of 2-methoxy-4,6-dimethyl-4-propoxyheptane?
2-methoxy-4,6-dimethyl-4-propoxyheptane has a molecular weight of 216.36 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethyl-4-propoxyheptane is sourced from PubChem (CID 135038604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).