3-(2-ethoxyethoxy)-3-methylheptane

C12H26O2 — CID 57276145

IUPAC3-(2-ethoxyethoxy)-3-methylheptane
SMILESCCCCC(C)(CC)OCCOCC
InChIInChI=1S/C12H26O2/c1-5-8-9-12(4,6-2)14-11-10-13-7-3/h5-11H2,1-4H3
InChIKeyGYIJGGBSHHJEIQ-UHFFFAOYSA-N
MW202.34 g/mol
LogP3.40
Rot. Bonds9

About 3-(2-ethoxyethoxy)-3-methylheptane

3-(2-ethoxyethoxy)-3-methylheptane (PubChem CID 57276145) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-(2-ethoxyethoxy)-3-methylheptane.

Molecular Properties

Compound Name3-(2-ethoxyethoxy)-3-methylheptane
PubChem CID57276145
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name3-(2-ethoxyethoxy)-3-methylheptane
SMILESCCCCC(C)(CC)OCCOCC
InChIInChI=1S/C12H26O2/c1-5-8-9-12(4,6-2)14-11-10-13-7-3/h5-11H2,1-4H3
InChIKeyGYIJGGBSHHJEIQ-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethoxy)-3-methylheptane?
The IUPAC name of 3-(2-ethoxyethoxy)-3-methylheptane (CID 57276145) is 3-(2-ethoxyethoxy)-3-methylheptane.
What is the SMILES notation for 3-(2-ethoxyethoxy)-3-methylheptane?
The canonical SMILES for 3-(2-ethoxyethoxy)-3-methylheptane is CCCCC(C)(CC)OCCOCC.
What is the InChIKey of 3-(2-ethoxyethoxy)-3-methylheptane?
The InChIKey is GYIJGGBSHHJEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O2/c1-5-8-9-12(4,6-2)14-11-10-13-7-3/h5-11H2,1-4H3.
What are the key properties of 3-(2-ethoxyethoxy)-3-methylheptane?
3-(2-ethoxyethoxy)-3-methylheptane has a molecular weight of 202.34 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethoxy)-3-methylheptane is sourced from PubChem (CID 57276145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).