3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane

C18H38O4 — CID 171580547

IUPAC3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
SMILESCCCCC(CC)COCCOCCOCCOC(C)(C)C
InChIInChI=1S/C18H38O4/c1-6-8-9-17(7-2)16-21-13-12-19-10-11-20-14-15-22-18(3,4)5/h17H,6-16H2,1-5H3
InChIKeyMIPAGBANIRIWEX-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.07
Rot. Bonds15

About 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane

3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane (PubChem CID 171580547) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane.

Molecular Properties

Compound Name3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
PubChem CID171580547
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane
SMILESCCCCC(CC)COCCOCCOCCOC(C)(C)C
InChIInChI=1S/C18H38O4/c1-6-8-9-17(7-2)16-21-13-12-19-10-11-20-14-15-22-18(3,4)5/h17H,6-16H2,1-5H3
InChIKeyMIPAGBANIRIWEX-UHFFFAOYSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]butoxy]dodecane
CID 129302674
3-[2-(2-chloroethoxy)ethoxymethyl]heptane
CID 63664806
2-[2-[2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 86129872
(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-[2-(4-chlorobutoxy)ethoxymethyl]heptane
CID 129278916
3-[2-(2-methylhexoxy)ethoxymethyl]octane
CID 171470353
3-(2-ethylhexoxymethyl)heptane;titanium
CID 87161815
(3S)-3-(2-chloroethoxymethyl)heptane
CID 40579971
2-[(2S)-2-ethylhexoxy]-N-[2-[(2R)-2-ethylhexoxy]ethyl]ethanamine
CID 27255212
2-[(2S)-2-ethylhexoxy]-N,N-bis[2-[(2S)-2-ethylhexoxy]ethyl]ethanamine
CID 97464992
bis[2-(2-ethylhexoxy)ethoxy]-oxoazanium
CID 57281107
2-[2-[2-(2-ethylhexoxy)ethoxy]ethoxy]ethanol;sulfuric acid
CID 87749603

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane?
The IUPAC name of 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane (CID 171580547) is 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane.
What is the SMILES notation for 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane?
The canonical SMILES for 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane is CCCCC(CC)COCCOCCOCCOC(C)(C)C.
What is the InChIKey of 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane?
The InChIKey is MIPAGBANIRIWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-6-8-9-17(7-2)16-21-13-12-19-10-11-20-14-15-22-18(3,4)5/h17H,6-16H2,1-5H3.
What are the key properties of 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane?
3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane has a molecular weight of 318.50 g/mol, XLogP of 4.07, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxymethyl]heptane is sourced from PubChem (CID 171580547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).