4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane

C16H34O3 — CID 58371353

IUPAC4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
SMILESCC(C)CCCOCCOCCOCCCC(C)C
InChIInChI=1S/C16H34O3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyVRDXQRWUUGDWGQ-UHFFFAOYSA-N
MW274.44 g/mol
LogP3.91
Rot. Bonds14

About 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane

4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane (PubChem CID 58371353) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane.

Molecular Properties

Compound Name4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
PubChem CID58371353
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
SMILESCC(C)CCCOCCOCCOCCCC(C)C
InChIInChI=1S/C16H34O3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyVRDXQRWUUGDWGQ-UHFFFAOYSA-N
XLogP3.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 58473516
6-methyl-1-[2-(6-methylheptoxy)ethoxy]heptane
CID 150695983
1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
CID 166678636
3-[2-(4-methylpentoxy)ethoxy]propan-1-amine
CID 155228800
24-methyl-1-(24-methylpentacosoxy)pentacosane
CID 57087700
3-methyl-1-[2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane
CID 118631027
1-(2-methoxyethoxymethoxy)-4-methylpentane
CID 157079781
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 166800536
1-[2-(2-butoxyethoxy)ethoxy]-3-methylbutane
CID 88620736
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(11-methyldodecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 100929205
17-fluoro-1-(4-methylpentoxy)octadecane
CID 154961215

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane?
The IUPAC name of 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane (CID 58371353) is 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane.
What is the SMILES notation for 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane?
The canonical SMILES for 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane is CC(C)CCCOCCOCCOCCCC(C)C.
What is the InChIKey of 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane?
The InChIKey is VRDXQRWUUGDWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O3/c1-15(2)7-5-9-17-11-13-19-14-12-18-10-6-8-16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane?
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane has a molecular weight of 274.44 g/mol, XLogP of 3.91, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane is sourced from PubChem (CID 58371353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).