propane;propan-2-ol

C6H16O — CID 19777502

IUPACpropane;propan-2-ol
SMILESCC(C)O.CCC
InChIInChI=1S/C3H8O.C3H8/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H2,1-2H3
InChIKeyKZGIAZNSUAVEDJ-UHFFFAOYSA-N
MW104.19 g/mol
LogP1.80
Rot. Bonds

About propane;propan-2-ol

propane;propan-2-ol (PubChem CID 19777502) has the molecular formula C6H16O and a molecular weight of 104.19 g/mol. Its IUPAC name is propane;propan-2-ol.

Molecular Properties

Compound Namepropane;propan-2-ol
PubChem CID19777502
Molecular FormulaC6H16O
Molecular Weight104.19 g/mol
Exact Mass104.12
IUPAC Namepropane;propan-2-ol
SMILESCC(C)O.CCC
InChIInChI=1S/C3H8O.C3H8/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H2,1-2H3
InChIKeyKZGIAZNSUAVEDJ-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propane;propan-2-ol?
The IUPAC name of propane;propan-2-ol (CID 19777502) is propane;propan-2-ol.
What is the SMILES notation for propane;propan-2-ol?
The canonical SMILES for propane;propan-2-ol is CC(C)O.CCC.
What is the InChIKey of propane;propan-2-ol?
The InChIKey is KZGIAZNSUAVEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C3H8/c1-3(2)4;1-3-2/h3-4H,1-2H3;3H2,1-2H3.
What are the key properties of propane;propan-2-ol?
propane;propan-2-ol has a molecular weight of 104.19 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;propan-2-ol is sourced from PubChem (CID 19777502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).