4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane

C12H26O2 — CID 141015062

IUPAC4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
SMILESCOCC(C(C)C)C(CC(C)C)OC
InChIInChI=1S/C12H26O2/c1-9(2)7-12(14-6)11(8-13-5)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyFYRZYGDPRKREPR-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.97
Rot. Bonds7

About 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane

4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane (PubChem CID 141015062) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane.

Molecular Properties

Compound Name4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
PubChem CID141015062
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane
SMILESCOCC(C(C)C)C(CC(C)C)OC
InChIInChI=1S/C12H26O2/c1-9(2)7-12(14-6)11(8-13-5)10(3)4/h9-12H,7-8H2,1-6H3
InChIKeyFYRZYGDPRKREPR-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane?
The IUPAC name of 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane (CID 141015062) is 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane.
What is the SMILES notation for 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane?
The canonical SMILES for 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane is COCC(C(C)C)C(CC(C)C)OC.
What is the InChIKey of 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane?
The InChIKey is FYRZYGDPRKREPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(2)7-12(14-6)11(8-13-5)10(3)4/h9-12H,7-8H2,1-6H3.
What are the key properties of 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane?
4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane has a molecular weight of 202.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(methoxymethyl)-2,6-dimethylheptane is sourced from PubChem (CID 141015062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).