1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol

C10H18O3 — CID 88628988

IUPAC1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(O)COCC(O)C(=C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(11)5-13-6-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3
InChIKeyBAYYIPMEQPYFPW-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.88
Rot. Bonds6

About 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol

1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol (PubChem CID 88628988) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol
PubChem CID88628988
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(O)COCC(O)C(=C)C
InChIInChI=1S/C10H18O3/c1-7(2)9(11)5-13-6-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3
InChIKeyBAYYIPMEQPYFPW-UHFFFAOYSA-N
XLogP0.88
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol?
The IUPAC name of 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol (CID 88628988) is 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol.
What is the SMILES notation for 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol?
The canonical SMILES for 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol is C=C(C)C(O)COCC(O)C(=C)C.
What is the InChIKey of 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol?
The InChIKey is BAYYIPMEQPYFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(2)9(11)5-13-6-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3.
What are the key properties of 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol?
1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol has a molecular weight of 186.25 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methylbut-3-enoxy)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 88628988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).