2-methylbut-3-en-2-ol

C5H10O — CID 8257

IUPAC2-methylbut-3-en-2-ol
SMILESC=CC(C)(C)O
InChIInChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKeyHNVRRHSXBLFLIG-UHFFFAOYSA-N
MW86.13 g/mol
LogP0.94
Rot. Bonds1

About 2-methylbut-3-en-2-ol

2-methylbut-3-en-2-ol (PubChem CID 8257) has the molecular formula C5H10O and a molecular weight of 86.13 g/mol. Its IUPAC name is 2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name2-methylbut-3-en-2-ol
PubChem CID8257
Molecular FormulaC5H10O
Molecular Weight86.13 g/mol
Exact Mass86.07
IUPAC Name2-methylbut-3-en-2-ol
SMILESC=CC(C)(C)O
InChIInChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3
InChIKeyHNVRRHSXBLFLIG-UHFFFAOYSA-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 2-methylbut-3-en-2-ol?
The IUPAC name of 2-methylbut-3-en-2-ol (CID 8257) is 2-methylbut-3-en-2-ol.
What is the SMILES notation for 2-methylbut-3-en-2-ol?
The canonical SMILES for 2-methylbut-3-en-2-ol is C=CC(C)(C)O.
What is the InChIKey of 2-methylbut-3-en-2-ol?
The InChIKey is HNVRRHSXBLFLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O/c1-4-5(2,3)6/h4,6H,1H2,2-3H3.
What are the key properties of 2-methylbut-3-en-2-ol?
2-methylbut-3-en-2-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 2-methylbut-3-en-2-ol is sourced from PubChem (CID 8257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).