1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol

C10H18O4 — CID 15787829

IUPAC1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OCCOC(O)C(=C)C
InChIInChI=1S/C10H18O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3
InChIKeyPMWVIAHYWFYTHI-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.81
Rot. Bonds7

About 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol

1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol (PubChem CID 15787829) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol
PubChem CID15787829
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)OCCOC(O)C(=C)C
InChIInChI=1S/C10H18O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3
InChIKeyPMWVIAHYWFYTHI-UHFFFAOYSA-N
XLogP0.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol?
The IUPAC name of 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol (CID 15787829) is 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol is C=C(C)C(O)OCCOC(O)C(=C)C.
What is the InChIKey of 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol?
The InChIKey is PMWVIAHYWFYTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4/c1-7(2)9(11)13-5-6-14-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3.
What are the key properties of 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol?
1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol has a molecular weight of 202.25 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxy-2-methylprop-2-enoxy)ethoxy]-2-methylprop-2-en-1-ol is sourced from PubChem (CID 15787829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).