but-3-en-2-ol;2-methylpropan-2-ol

C8H18O2 — CID 88536616

IUPACbut-3-en-2-ol;2-methylpropan-2-ol
SMILESC=CC(C)O.CC(C)(C)O
InChIInChI=1S/C4H10O.C4H8O/c1-4(2,3)5;1-3-4(2)5/h5H,1-3H3;3-5H,1H2,2H3
InChIKeyRITTTYNPEGHHEH-UHFFFAOYSA-N
MW146.23 g/mol
LogP1.33
Rot. Bonds1

About but-3-en-2-ol;2-methylpropan-2-ol

but-3-en-2-ol;2-methylpropan-2-ol (PubChem CID 88536616) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is but-3-en-2-ol;2-methylpropan-2-ol.

Molecular Properties

Compound Namebut-3-en-2-ol;2-methylpropan-2-ol
PubChem CID88536616
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Namebut-3-en-2-ol;2-methylpropan-2-ol
SMILESC=CC(C)O.CC(C)(C)O
InChIInChI=1S/C4H10O.C4H8O/c1-4(2,3)5;1-3-4(2)5/h5H,1-3H3;3-5H,1H2,2H3
InChIKeyRITTTYNPEGHHEH-UHFFFAOYSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 but-3-en-2-ol;2-methylpropan-2-ol?
The IUPAC name of but-3-en-2-ol;2-methylpropan-2-ol (CID 88536616) is but-3-en-2-ol;2-methylpropan-2-ol.
What is the SMILES notation for but-3-en-2-ol;2-methylpropan-2-ol?
The canonical SMILES for but-3-en-2-ol;2-methylpropan-2-ol is C=CC(C)O.CC(C)(C)O.
What is the InChIKey of but-3-en-2-ol;2-methylpropan-2-ol?
The InChIKey is RITTTYNPEGHHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8O/c1-4(2,3)5;1-3-4(2)5/h5H,1-3H3;3-5H,1H2,2H3.
What are the key properties of but-3-en-2-ol;2-methylpropan-2-ol?
but-3-en-2-ol;2-methylpropan-2-ol has a molecular weight of 146.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ol;2-methylpropan-2-ol is sourced from PubChem (CID 88536616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).