propan-2-(17O)ol

C3H8O — CID 71309655

IUPACpropan-2-(17O)ol
SMILESCC(C)[17OH]
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4+1
InChIKeyKFZMGEQAYNKOFK-AZXPZELESA-N
MW61.10 g/mol
LogP0.39
Rot. Bonds

About propan-2-(17O)ol

propan-2-(17O)ol (PubChem CID 71309655) has the molecular formula C3H8O and a molecular weight of 61.10 g/mol. Its IUPAC name is propan-2-(17O)ol.

Molecular Properties

Compound Namepropan-2-(17O)ol
PubChem CID71309655
Molecular FormulaC3H8O
Molecular Weight61.10 g/mol
Exact Mass61.06
IUPAC Namepropan-2-(17O)ol
SMILESCC(C)[17OH]
InChIInChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4+1
InChIKeyKFZMGEQAYNKOFK-AZXPZELESA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-(17O)ol?
The IUPAC name of propan-2-(17O)ol (CID 71309655) is propan-2-(17O)ol.
What is the SMILES notation for propan-2-(17O)ol?
The canonical SMILES for propan-2-(17O)ol is CC(C)[17OH].
What is the InChIKey of propan-2-(17O)ol?
The InChIKey is KFZMGEQAYNKOFK-AZXPZELESA-N. The full InChI is InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4+1.
What are the key properties of propan-2-(17O)ol?
propan-2-(17O)ol has a molecular weight of 61.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-(17O)ol is sourced from PubChem (CID 71309655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).