2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene

C14H28O4 — CID 88932814

IUPAC2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene
SMILESC=C(C)C(C)OC(C)C(=C)C.OCCOCCO
InChIInChI=1S/C10H18O.C4H10O3/c1-7(2)9(5)11-10(6)8(3)4;5-1-3-7-4-2-6/h9-10H,1,3H2,2,4-6H3;5-6H,1-4H2
InChIKeyMFUMHTGLNLAQSQ-UHFFFAOYSA-N
MW260.37 g/mol
LogP1.92
Rot. Bonds8

About 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene

2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene (PubChem CID 88932814) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene
PubChem CID88932814
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene
SMILESC=C(C)C(C)OC(C)C(=C)C.OCCOCCO
InChIInChI=1S/C10H18O.C4H10O3/c1-7(2)9(5)11-10(6)8(3)4;5-1-3-7-4-2-6/h9-10H,1,3H2,2,4-6H3;5-6H,1-4H2
InChIKeyMFUMHTGLNLAQSQ-UHFFFAOYSA-N
XLogP1.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 51.92
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 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene (CID 88932814) is 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene is C=C(C)C(C)OC(C)C(=C)C.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene?
The InChIKey is MFUMHTGLNLAQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O.C4H10O3/c1-7(2)9(5)11-10(6)8(3)4;5-1-3-7-4-2-6/h9-10H,1,3H2,2,4-6H3;5-6H,1-4H2.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene?
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene has a molecular weight of 260.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;2-methyl-3-(3-methylbut-3-en-2-yloxy)but-1-ene is sourced from PubChem (CID 88932814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).