3-[2-(2-methylhexoxy)ethoxymethyl]octane

C18H38O2 — CID 171470353

IUPAC3-[2-(2-methylhexoxy)ethoxymethyl]octane
SMILESCCCCCC(CC)COCCOCC(C)CCCC
InChIInChI=1S/C18H38O2/c1-5-8-10-12-18(7-3)16-20-14-13-19-15-17(4)11-9-6-2/h17-18H,5-16H2,1-4H3
InChIKeyLARASLBQWVOGIC-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.45
Rot. Bonds15

About 3-[2-(2-methylhexoxy)ethoxymethyl]octane

3-[2-(2-methylhexoxy)ethoxymethyl]octane (PubChem CID 171470353) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 3-[2-(2-methylhexoxy)ethoxymethyl]octane.

Molecular Properties

Compound Name3-[2-(2-methylhexoxy)ethoxymethyl]octane
PubChem CID171470353
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name3-[2-(2-methylhexoxy)ethoxymethyl]octane
SMILESCCCCCC(CC)COCCOCC(C)CCCC
InChIInChI=1S/C18H38O2/c1-5-8-10-12-18(7-3)16-20-14-13-19-15-17(4)11-9-6-2/h17-18H,5-16H2,1-4H3
InChIKeyLARASLBQWVOGIC-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.45
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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Related Compounds

1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
decane;ethane;1-(2-ethyloctoxy)tetradecane
CID 155743358
1-[2-(2-ethylhexoxy)ethoxy]decan-2-ol
CID 165350340
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
ethane;3-(2-ethylhexoxy)-2-methylpropan-1-ol
CID 170602401
1-[2-(2-ethoxyethoxy)ethoxy]-2-methylhexane
CID 59128190

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylhexoxy)ethoxymethyl]octane?
The IUPAC name of 3-[2-(2-methylhexoxy)ethoxymethyl]octane (CID 171470353) is 3-[2-(2-methylhexoxy)ethoxymethyl]octane.
What is the SMILES notation for 3-[2-(2-methylhexoxy)ethoxymethyl]octane?
The canonical SMILES for 3-[2-(2-methylhexoxy)ethoxymethyl]octane is CCCCCC(CC)COCCOCC(C)CCCC.
What is the InChIKey of 3-[2-(2-methylhexoxy)ethoxymethyl]octane?
The InChIKey is LARASLBQWVOGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-5-8-10-12-18(7-3)16-20-14-13-19-15-17(4)11-9-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 3-[2-(2-methylhexoxy)ethoxymethyl]octane?
3-[2-(2-methylhexoxy)ethoxymethyl]octane has a molecular weight of 286.50 g/mol, XLogP of 5.45, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylhexoxy)ethoxymethyl]octane is sourced from PubChem (CID 171470353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).