3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane

C14H30O4 — CID 90399407

IUPAC3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane
SMILESCCOCCOCCOCCOC(C)(CC)CC
InChIInChI=1S/C14H30O4/c1-5-14(4,6-2)18-13-12-17-11-10-16-9-8-15-7-3/h5-13H2,1-4H3
InChIKeyNYLZKFAVEGVPKH-UHFFFAOYSA-N
MW262.39 g/mol
LogP2.65
Rot. Bonds13

About 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane

3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane (PubChem CID 90399407) has the molecular formula C14H30O4 and a molecular weight of 262.39 g/mol. Its IUPAC name is 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane.

Molecular Properties

Compound Name3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane
PubChem CID90399407
Molecular FormulaC14H30O4
Molecular Weight262.39 g/mol
Exact Mass262.21
IUPAC Name3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane
SMILESCCOCCOCCOCCOC(C)(CC)CC
InChIInChI=1S/C14H30O4/c1-5-14(4,6-2)18-13-12-17-11-10-16-9-8-15-7-3/h5-13H2,1-4H3
InChIKeyNYLZKFAVEGVPKH-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane?
The IUPAC name of 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane (CID 90399407) is 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane.
What is the SMILES notation for 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane?
The canonical SMILES for 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane is CCOCCOCCOCCOC(C)(CC)CC.
What is the InChIKey of 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane?
The InChIKey is NYLZKFAVEGVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O4/c1-5-14(4,6-2)18-13-12-17-11-10-16-9-8-15-7-3/h5-13H2,1-4H3.
What are the key properties of 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane?
3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane has a molecular weight of 262.39 g/mol, XLogP of 2.65, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3-methylpentane is sourced from PubChem (CID 90399407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).