(E)-2-methylbut-2-en-1-ol

C5H10O — CID 6433417

IUPAC(E)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)CO
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyNEJDKFPXHQRVMV-HWKANZROSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds1

About (E)-2-methylbut-2-en-1-ol

(E)-2-methylbut-2-en-1-ol (PubChem CID 6433417) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is (E)-2-methylbut-2-en-1-ol.

Molecular Properties

Compound Name(E)-2-methylbut-2-en-1-ol
PubChem CID6433417
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name(E)-2-methylbut-2-en-1-ol
SMILESC/C=C(\C)CO
InChIInChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+
InChIKeyNEJDKFPXHQRVMV-HWKANZROSA-N
XLogP0.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.13
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methylbut-2-en-1-ol?
The IUPAC name of (E)-2-methylbut-2-en-1-ol (CID 6433417) is (E)-2-methylbut-2-en-1-ol.
What is the SMILES notation for (E)-2-methylbut-2-en-1-ol?
The canonical SMILES for (E)-2-methylbut-2-en-1-ol is C/C=C(\C)CO.
What is the InChIKey of (E)-2-methylbut-2-en-1-ol?
The InChIKey is NEJDKFPXHQRVMV-HWKANZROSA-N. The full InChI is InChI=1S/C5H10O/c1-3-5(2)4-6/h3,6H,4H2,1-2H3/b5-3+.
What are the key properties of (E)-2-methylbut-2-en-1-ol?
(E)-2-methylbut-2-en-1-ol has a molecular weight of 86.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methylbut-2-en-1-ol is sourced from PubChem (CID 6433417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).