1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane

C17H35IO4 — CID 166678636

IUPAC1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
SMILESCC(C)CCCOCCOCCOCCOCCCC(C)I
InChIInChI=1S/C17H35IO4/c1-16(2)6-4-8-19-10-12-21-14-15-22-13-11-20-9-5-7-17(3)18/h16-17H,4-15H2,1-3H3
InChIKeyLXHHFSVIONTVOJ-UHFFFAOYSA-N
MW430.37 g/mol
LogP4.09
Rot. Bonds17

About 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane

1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane (PubChem CID 166678636) has the molecular formula C17H35IO4 and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane.

Molecular Properties

Compound Name1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
PubChem CID166678636
Molecular FormulaC17H35IO4
Molecular Weight430.37 g/mol
Exact Mass430.16
IUPAC Name1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane
SMILESCC(C)CCCOCCOCCOCCOCCCC(C)I
InChIInChI=1S/C17H35IO4/c1-16(2)6-4-8-19-10-12-21-14-15-22-13-11-20-9-5-7-17(3)18/h16-17H,4-15H2,1-3H3
InChIKeyLXHHFSVIONTVOJ-UHFFFAOYSA-N
XLogP4.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
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
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-(4-iodopentoxymethoxy)decane
CID 172535184
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane?
The IUPAC name of 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane (CID 166678636) is 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane.
What is the SMILES notation for 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane?
The canonical SMILES for 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane is CC(C)CCCOCCOCCOCCOCCCC(C)I.
What is the InChIKey of 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane?
The InChIKey is LXHHFSVIONTVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35IO4/c1-16(2)6-4-8-19-10-12-21-14-15-22-13-11-20-9-5-7-17(3)18/h16-17H,4-15H2,1-3H3.
What are the key properties of 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane?
1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane has a molecular weight of 430.37 g/mol, XLogP of 4.09, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(4-iodopentoxy)ethoxy]ethoxy]ethoxy]-4-methylpentane is sourced from PubChem (CID 166678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).