ethane;propan-2-ol

C5H14O — CID 20565328

IUPACethane;propan-2-ol
SMILESCC.CC(C)O
InChIInChI=1S/C3H8O.C2H6/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H3
InChIKeyRSXQNBMQIOFVDW-UHFFFAOYSA-N
MW90.17 g/mol
LogP1.41
Rot. Bonds

About ethane;propan-2-ol

ethane;propan-2-ol (PubChem CID 20565328) has the molecular formula C5H14O and a molecular weight of 90.17 g/mol. Its IUPAC name is ethane;propan-2-ol.

Molecular Properties

Compound Nameethane;propan-2-ol
PubChem CID20565328
Molecular FormulaC5H14O
Molecular Weight90.17 g/mol
Exact Mass90.10
IUPAC Nameethane;propan-2-ol
SMILESCC.CC(C)O
InChIInChI=1S/C3H8O.C2H6/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H3
InChIKeyRSXQNBMQIOFVDW-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze ethane;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 ethane;propan-2-ol?
The IUPAC name of ethane;propan-2-ol (CID 20565328) is ethane;propan-2-ol.
What is the SMILES notation for ethane;propan-2-ol?
The canonical SMILES for ethane;propan-2-ol is CC.CC(C)O.
What is the InChIKey of ethane;propan-2-ol?
The InChIKey is RSXQNBMQIOFVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2H6/c1-3(2)4;1-2/h3-4H,1-2H3;1-2H3.
What are the key properties of ethane;propan-2-ol?
ethane;propan-2-ol has a molecular weight of 90.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-ol is sourced from PubChem (CID 20565328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).