1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol

C10H20O4 — CID 87244320

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)COCCOCCO
InChIInChI=1S/C10H20O4/c1-3-4-10(2,12)9-14-8-7-13-6-5-11/h3,11-12H,1,4-9H2,2H3
InChIKeyAKFADANALKZFJG-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.34
Rot. Bonds9

About 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol

1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol (PubChem CID 87244320) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
PubChem CID87244320
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol
SMILESC=CCC(C)(O)COCCOCCO
InChIInChI=1S/C10H20O4/c1-3-4-10(2,12)9-14-8-7-13-6-5-11/h3,11-12H,1,4-9H2,2H3
InChIKeyAKFADANALKZFJG-UHFFFAOYSA-N
XLogP0.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol (CID 87244320) is 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol is C=CCC(C)(O)COCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol?
The InChIKey is AKFADANALKZFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4/c1-3-4-10(2,12)9-14-8-7-13-6-5-11/h3,11-12H,1,4-9H2,2H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol?
1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol has a molecular weight of 204.27 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]-2-methylpent-4-en-2-ol is sourced from PubChem (CID 87244320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).