4-ethoxy-4-methylheptane

C10H22O — CID 59678235

IUPAC4-ethoxy-4-methylheptane
SMILESCCCC(C)(CCC)OCC
InChIInChI=1S/C10H22O/c1-5-8-10(4,9-6-2)11-7-3/h5-9H2,1-4H3
InChIKeyYKMQBWXNBUDELF-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.38
Rot. Bonds6

About 4-ethoxy-4-methylheptane

4-ethoxy-4-methylheptane (PubChem CID 59678235) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4-ethoxy-4-methylheptane.

Molecular Properties

Compound Name4-ethoxy-4-methylheptane
PubChem CID59678235
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4-ethoxy-4-methylheptane
SMILESCCCC(C)(CCC)OCC
InChIInChI=1S/C10H22O/c1-5-8-10(4,9-6-2)11-7-3/h5-9H2,1-4H3
InChIKeyYKMQBWXNBUDELF-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-4-methylheptane?
The IUPAC name of 4-ethoxy-4-methylheptane (CID 59678235) is 4-ethoxy-4-methylheptane.
What is the SMILES notation for 4-ethoxy-4-methylheptane?
The canonical SMILES for 4-ethoxy-4-methylheptane is CCCC(C)(CCC)OCC.
What is the InChIKey of 4-ethoxy-4-methylheptane?
The InChIKey is YKMQBWXNBUDELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-8-10(4,9-6-2)11-7-3/h5-9H2,1-4H3.
What are the key properties of 4-ethoxy-4-methylheptane?
4-ethoxy-4-methylheptane has a molecular weight of 158.28 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-4-methylheptane is sourced from PubChem (CID 59678235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).