(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol

C11H22O4 — CID 141274323

IUPAC(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol
SMILESC/C=C/C(C)(O)C(C)OCCOCCO
InChIInChI=1S/C11H22O4/c1-4-5-11(3,13)10(2)15-9-8-14-7-6-12/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+
InChIKeyOPTFXYSCGGVUCN-SNAWJCMRSA-N
MW218.29 g/mol
LogP0.73
Rot. Bonds8

About (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol

(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol (PubChem CID 141274323) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol
PubChem CID141274323
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol
SMILESC/C=C/C(C)(O)C(C)OCCOCCO
InChIInChI=1S/C11H22O4/c1-4-5-11(3,13)10(2)15-9-8-14-7-6-12/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+
InChIKeyOPTFXYSCGGVUCN-SNAWJCMRSA-N
XLogP0.73
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.73
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 (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol?
The IUPAC name of (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol (CID 141274323) is (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol.
What is the SMILES notation for (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol?
The canonical SMILES for (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol is C/C=C/C(C)(O)C(C)OCCOCCO.
What is the InChIKey of (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol?
The InChIKey is OPTFXYSCGGVUCN-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H22O4/c1-4-5-11(3,13)10(2)15-9-8-14-7-6-12/h4-5,10,12-13H,6-9H2,1-3H3/b5-4+.
What are the key properties of (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol?
(E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol has a molecular weight of 218.29 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[2-(2-hydroxyethoxy)ethoxy]-3-methylhex-4-en-3-ol is sourced from PubChem (CID 141274323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).