(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol

C10H18O3 — CID 87192199

IUPAC(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol
SMILESC/C(=C\O/C=C(\C)C(C)O)C(C)O
InChIInChI=1S/C10H18O3/c1-7(9(3)11)5-13-6-8(2)10(4)12/h5-6,9-12H,1-4H3/b7-5+,8-6+
InChIKeyRFYIFPTWHCZKRY-KQQUZDAGSA-N
MW186.25 g/mol
LogP1.57
Rot. Bonds4

About (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol

(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol (PubChem CID 87192199) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol
PubChem CID87192199
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol
SMILESC/C(=C\O/C=C(\C)C(C)O)C(C)O
InChIInChI=1S/C10H18O3/c1-7(9(3)11)5-13-6-8(2)10(4)12/h5-6,9-12H,1-4H3/b7-5+,8-6+
InChIKeyRFYIFPTWHCZKRY-KQQUZDAGSA-N
XLogP1.57
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol (CID 87192199) is (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol is C/C(=C\O/C=C(\C)C(C)O)C(C)O.
What is the InChIKey of (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol?
The InChIKey is RFYIFPTWHCZKRY-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H18O3/c1-7(9(3)11)5-13-6-8(2)10(4)12/h5-6,9-12H,1-4H3/b7-5+,8-6+.
What are the key properties of (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol?
(E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol has a molecular weight of 186.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-3-hydroxy-2-methylbut-1-enoxy]-3-methylbut-3-en-2-ol is sourced from PubChem (CID 87192199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).