1-methoxy-3-(2-methoxyethyl)-3-methylheptane

C12H26O2 — CID 57033941

IUPAC1-methoxy-3-(2-methoxyethyl)-3-methylheptane
SMILESCCCCC(C)(CCOC)CCOC
InChIInChI=1S/C12H26O2/c1-5-6-7-12(2,8-10-13-3)9-11-14-4/h5-11H2,1-4H3
InChIKeyUEYDXXYSYTWGJF-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.26
Rot. Bonds9

About 1-methoxy-3-(2-methoxyethyl)-3-methylheptane

1-methoxy-3-(2-methoxyethyl)-3-methylheptane (PubChem CID 57033941) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethyl)-3-methylheptane.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethyl)-3-methylheptane
PubChem CID57033941
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name1-methoxy-3-(2-methoxyethyl)-3-methylheptane
SMILESCCCCC(C)(CCOC)CCOC
InChIInChI=1S/C12H26O2/c1-5-6-7-12(2,8-10-13-3)9-11-14-4/h5-11H2,1-4H3
InChIKeyUEYDXXYSYTWGJF-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethyl)-3-methylheptane?
The IUPAC name of 1-methoxy-3-(2-methoxyethyl)-3-methylheptane (CID 57033941) is 1-methoxy-3-(2-methoxyethyl)-3-methylheptane.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethyl)-3-methylheptane?
The canonical SMILES for 1-methoxy-3-(2-methoxyethyl)-3-methylheptane is CCCCC(C)(CCOC)CCOC.
What is the InChIKey of 1-methoxy-3-(2-methoxyethyl)-3-methylheptane?
The InChIKey is UEYDXXYSYTWGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-6-7-12(2,8-10-13-3)9-11-14-4/h5-11H2,1-4H3.
What are the key properties of 1-methoxy-3-(2-methoxyethyl)-3-methylheptane?
1-methoxy-3-(2-methoxyethyl)-3-methylheptane has a molecular weight of 202.34 g/mol, XLogP of 3.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethyl)-3-methylheptane is sourced from PubChem (CID 57033941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).