butan-2-ol;2-methylprop-1-ene;propan-2-ol

C11H26O2 — CID 88733258

IUPACbutan-2-ol;2-methylprop-1-ene;propan-2-ol
SMILESC=C(C)C.CC(C)O.CCC(C)O
InChIInChI=1S/C4H10O.C4H8.C3H8O/c1-3-4(2)5;1-4(2)3;1-3(2)4/h4-5H,3H2,1-2H3;1H2,2-3H3;3-4H,1-2H3
InChIKeyCLBCNRWCGRKMPG-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.75
Rot. Bonds1

About butan-2-ol;2-methylprop-1-ene;propan-2-ol

butan-2-ol;2-methylprop-1-ene;propan-2-ol (PubChem CID 88733258) has the molecular formula C11H26O2 and a molecular weight of 190.33 g/mol. Its IUPAC name is butan-2-ol;2-methylprop-1-ene;propan-2-ol.

Molecular Properties

Compound Namebutan-2-ol;2-methylprop-1-ene;propan-2-ol
PubChem CID88733258
Molecular FormulaC11H26O2
Molecular Weight190.33 g/mol
Exact Mass190.19
IUPAC Namebutan-2-ol;2-methylprop-1-ene;propan-2-ol
SMILESC=C(C)C.CC(C)O.CCC(C)O
InChIInChI=1S/C4H10O.C4H8.C3H8O/c1-3-4(2)5;1-4(2)3;1-3(2)4/h4-5H,3H2,1-2H3;1H2,2-3H3;3-4H,1-2H3
InChIKeyCLBCNRWCGRKMPG-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butan-2-ol;2-methylprop-1-ene;propan-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 butan-2-ol;2-methylprop-1-ene;propan-2-ol?
The IUPAC name of butan-2-ol;2-methylprop-1-ene;propan-2-ol (CID 88733258) is butan-2-ol;2-methylprop-1-ene;propan-2-ol.
What is the SMILES notation for butan-2-ol;2-methylprop-1-ene;propan-2-ol?
The canonical SMILES for butan-2-ol;2-methylprop-1-ene;propan-2-ol is C=C(C)C.CC(C)O.CCC(C)O.
What is the InChIKey of butan-2-ol;2-methylprop-1-ene;propan-2-ol?
The InChIKey is CLBCNRWCGRKMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C4H8.C3H8O/c1-3-4(2)5;1-4(2)3;1-3(2)4/h4-5H,3H2,1-2H3;1H2,2-3H3;3-4H,1-2H3.
What are the key properties of butan-2-ol;2-methylprop-1-ene;propan-2-ol?
butan-2-ol;2-methylprop-1-ene;propan-2-ol has a molecular weight of 190.33 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;2-methylprop-1-ene;propan-2-ol is sourced from PubChem (CID 88733258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).