3-ethyl-2-methoxy-2-methylhexane

C10H22O — CID 20533592

IUPAC3-ethyl-2-methoxy-2-methylhexane
SMILESCCCC(CC)C(C)(C)OC
InChIInChI=1S/C10H22O/c1-6-8-9(7-2)10(3,4)11-5/h9H,6-8H2,1-5H3
InChIKeyBMJUIFWJBGQMHS-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.24
Rot. Bonds5

About 3-ethyl-2-methoxy-2-methylhexane

3-ethyl-2-methoxy-2-methylhexane (PubChem CID 20533592) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3-ethyl-2-methoxy-2-methylhexane.

Molecular Properties

Compound Name3-ethyl-2-methoxy-2-methylhexane
PubChem CID20533592
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3-ethyl-2-methoxy-2-methylhexane
SMILESCCCC(CC)C(C)(C)OC
InChIInChI=1S/C10H22O/c1-6-8-9(7-2)10(3,4)11-5/h9H,6-8H2,1-5H3
InChIKeyBMJUIFWJBGQMHS-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methoxy-2-methylhexane?
The IUPAC name of 3-ethyl-2-methoxy-2-methylhexane (CID 20533592) is 3-ethyl-2-methoxy-2-methylhexane.
What is the SMILES notation for 3-ethyl-2-methoxy-2-methylhexane?
The canonical SMILES for 3-ethyl-2-methoxy-2-methylhexane is CCCC(CC)C(C)(C)OC.
What is the InChIKey of 3-ethyl-2-methoxy-2-methylhexane?
The InChIKey is BMJUIFWJBGQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-8-9(7-2)10(3,4)11-5/h9H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-2-methoxy-2-methylhexane?
3-ethyl-2-methoxy-2-methylhexane has a molecular weight of 158.28 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methoxy-2-methylhexane is sourced from PubChem (CID 20533592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).