2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol

C13H26O5 — CID 88520348

IUPAC2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol
SMILESC=C(C)C(COCCOCCOCC)OCCO
InChIInChI=1S/C13H26O5/c1-4-15-7-8-16-9-10-17-11-13(12(2)3)18-6-5-14/h13-14H,2,4-11H2,1,3H3
InChIKeyIKECCRWODUBSAG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.01
Rot. Bonds13

About 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol

2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol (PubChem CID 88520348) has the molecular formula C13H26O5 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol
PubChem CID88520348
Molecular FormulaC13H26O5
Molecular Weight262.35 g/mol
Exact Mass262.18
IUPAC Name2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol
SMILESC=C(C)C(COCCOCCOCC)OCCO
InChIInChI=1S/C13H26O5/c1-4-15-7-8-16-9-10-17-11-13(12(2)3)18-6-5-14/h13-14H,2,4-11H2,1,3H3
InChIKeyIKECCRWODUBSAG-UHFFFAOYSA-N
XLogP1.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol?
The IUPAC name of 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol (CID 88520348) is 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol is C=C(C)C(COCCOCCOCC)OCCO.
What is the InChIKey of 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol?
The InChIKey is IKECCRWODUBSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O5/c1-4-15-7-8-16-9-10-17-11-13(12(2)3)18-6-5-14/h13-14H,2,4-11H2,1,3H3.
What are the key properties of 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol?
2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol has a molecular weight of 262.35 g/mol, XLogP of 1.01, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyethoxy)ethoxy]-3-methylbut-3-en-2-yl]oxyethanol is sourced from PubChem (CID 88520348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).