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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Related Compounds

1-methoxy-2-methyl-2-propoxybutane
CID 122692846
3-methyl-3-(3-methylbutoxy)hexane
CID 91309958
(4-methyl-4-propoxypentan-2-yl) propanoate
CID 145115170
4-[4-(2,3-dimethoxypropoxy)-2-methoxy-4-methylhexoxy]-1,2-dimethoxy-4-methylhexane
CID 90159958
methane;2-methoxybutane
CID 162124465
1-(1,1-dipropoxyethoxy)propane
CID 21433420
4-(2,4-dimethyloctadecan-4-yloxy)-2,4-dimethyloctadecane
CID 87666384
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313
1-chloro-5-methoxy-3,3-dimethylhexane
CID 129235337
2-methoxy-1-(2-propoxypropoxy)propane
CID 174155722
2,2,3-trimethyl-1-propoxybutane-1,1-diamine
CID 19813602

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).