methoxyethane;3-methylheptane

C11H26O — CID 174799234

IUPACmethoxyethane;3-methylheptane
SMILESCCCCC(C)CC.CCOC
InChIInChI=1S/C8H18.C3H8O/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyVXEJGNWHAPJIQP-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.88
Rot. Bonds5

About methoxyethane;3-methylheptane

methoxyethane;3-methylheptane (PubChem CID 174799234) has the molecular formula C11H26O and a molecular weight of 174.33 g/mol. Its IUPAC name is methoxyethane;3-methylheptane.

Molecular Properties

Compound Namemethoxyethane;3-methylheptane
PubChem CID174799234
Molecular FormulaC11H26O
Molecular Weight174.33 g/mol
Exact Mass174.20
IUPAC Namemethoxyethane;3-methylheptane
SMILESCCCCC(C)CC.CCOC
InChIInChI=1S/C8H18.C3H8O/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3H2,1-2H3
InChIKeyVXEJGNWHAPJIQP-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze methoxyethane;3-methylheptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxyethane;3-methylheptane?
The IUPAC name of methoxyethane;3-methylheptane (CID 174799234) is methoxyethane;3-methylheptane.
What is the SMILES notation for methoxyethane;3-methylheptane?
The canonical SMILES for methoxyethane;3-methylheptane is CCCCC(C)CC.CCOC.
What is the InChIKey of methoxyethane;3-methylheptane?
The InChIKey is VXEJGNWHAPJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C3H8O/c1-4-6-7-8(3)5-2;1-3-4-2/h8H,4-7H2,1-3H3;3H2,1-2H3.
What are the key properties of methoxyethane;3-methylheptane?
methoxyethane;3-methylheptane has a molecular weight of 174.33 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;3-methylheptane is sourced from PubChem (CID 174799234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).