4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane

C16H34O — CID 153290238

IUPAC4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
SMILESCCC(COCC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C16H34O/c1-8-16(9-13(2)3,10-14(4)5)12-17-11-15(6)7/h13-15H,8-12H2,1-7H3
InChIKeyHHXFJOJZDFCDLJ-UHFFFAOYSA-N
MW242.45 g/mol
LogP5.15
Rot. Bonds9

About 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane

4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane (PubChem CID 153290238) has the molecular formula C16H34O and a molecular weight of 242.45 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
PubChem CID153290238
Molecular FormulaC16H34O
Molecular Weight242.45 g/mol
Exact Mass242.26
IUPAC Name4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane
SMILESCCC(COCC(C)C)(CC(C)C)CC(C)C
InChIInChI=1S/C16H34O/c1-8-16(9-13(2)3,10-14(4)5)12-17-11-15(6)7/h13-15H,8-12H2,1-7H3
InChIKeyHHXFJOJZDFCDLJ-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
4-ethyl-4-[2-[2-ethyl-4-methyl-2-(2-methylpropyl)pentyl]peroxyethoxymethyl]-2,6-dimethylheptane
CID 135274521
2-[[2,2-bis(hydroxymethyl)-3-(2-methylpropoxy)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
CID 175404874
1-[2-(2-aminopropoxymethyl)-2-[2,2-bis(2-aminopropoxymethyl)butoxymethyl]butoxy]propan-2-amine
CID 155605635
2-methyl-1-(2,2,2-trichloroethoxy)propane
CID 138495364
1-bromo-2-methyl-2-(2-methylpropoxymethyl)butane
CID 165447149
1-[2-[2-[1-[3-(2-hydroxypropoxy)-2-[2-[1-[3-(2-hydroxypropoxy)-2,2-bis(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)propoxy]propan-2-yloxy]propoxymethyl]-2-(2-hydroxypropoxymethyl)-3-(2-methylpropoxy)propoxy]propan-2-ol
CID 162486786
1-[2,2-bis(2-hydroxybutoxymethyl)butoxy]butan-2-ol
CID 118403092
2,2-dimethyl-1-(2-methylpropoxy)pentane
CID 88914355
4,4-diethyl-2,7-dimethyloctane
CID 57492571
4-(but-3-ynoxymethyl)-2-methyl-4-(propan-2-yloxymethyl)hexane
CID 118372614
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane?
The IUPAC name of 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane (CID 153290238) is 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane?
The canonical SMILES for 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane is CCC(COCC(C)C)(CC(C)C)CC(C)C.
What is the InChIKey of 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane?
The InChIKey is HHXFJOJZDFCDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O/c1-8-16(9-13(2)3,10-14(4)5)12-17-11-15(6)7/h13-15H,8-12H2,1-7H3.
What are the key properties of 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane?
4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane has a molecular weight of 242.45 g/mol, XLogP of 5.15, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-4-(2-methylpropoxymethyl)heptane is sourced from PubChem (CID 153290238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).