4-(ethoxymethyl)-2-methylhexane

C10H22O — CID 157265485

IUPAC4-(ethoxymethyl)-2-methylhexane
SMILESCCOCC(CC)CC(C)C
InChIInChI=1S/C10H22O/c1-5-10(7-9(3)4)8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyGFQGFSWBKISFBX-UHFFFAOYSA-N
MW158.28 g/mol
LogP3.10
Rot. Bonds6

About 4-(ethoxymethyl)-2-methylhexane

4-(ethoxymethyl)-2-methylhexane (PubChem CID 157265485) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-methylhexane.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-methylhexane
PubChem CID157265485
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name4-(ethoxymethyl)-2-methylhexane
SMILESCCOCC(CC)CC(C)C
InChIInChI=1S/C10H22O/c1-5-10(7-9(3)4)8-11-6-2/h9-10H,5-8H2,1-4H3
InChIKeyGFQGFSWBKISFBX-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 88668128
CID 88668128
2-(ethoxymethyl)-N-ethyl-4-methylpentan-1-amine
CID 103984222
bis(4-ethyl-2-methylhexane);2-methylbutane
CID 161441490
1-ethoxypropan-2-ylphosphane
CID 89068231
3-[2-(ethoxymethyl)butoxymethyl]-3-ethyloxetane
CID 71063418
4-ethyl-2,7-dimethyloctane
CID 53423923
1-ethoxypropan-2-ol;2-(2-ethylbutoxy)ethanol
CID 159420422
1-chloro-4-methyl-2-(propoxymethyl)pentane
CID 165446574
2-(ethoxymethyl)-N-propylbutan-1-amine
CID 103984257
4-ethyl-2-methylheptane;methane
CID 160575103
1-bromo-2-(2-ethoxyethoxymethyl)butane
CID 64995451
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854

Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-methylhexane?
The IUPAC name of 4-(ethoxymethyl)-2-methylhexane (CID 157265485) is 4-(ethoxymethyl)-2-methylhexane.
What is the SMILES notation for 4-(ethoxymethyl)-2-methylhexane?
The canonical SMILES for 4-(ethoxymethyl)-2-methylhexane is CCOCC(CC)CC(C)C.
What is the InChIKey of 4-(ethoxymethyl)-2-methylhexane?
The InChIKey is GFQGFSWBKISFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-5-10(7-9(3)4)8-11-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 4-(ethoxymethyl)-2-methylhexane?
4-(ethoxymethyl)-2-methylhexane has a molecular weight of 158.28 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-methylhexane is sourced from PubChem (CID 157265485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).