(1,2,3-13C3)propan-1-ol

C3H8O — CID 71309548

IUPAC(1,2,3-13C3)propan-1-ol
SMILES[13CH3][13CH2][13CH2]O
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1+1,2+1,3+1
InChIKeyBDERNNFJNOPAEC-VMIGTVKRSA-N
MW63.07 g/mol
LogP0.39
Rot. Bonds1

About (1,2,3-13C3)propan-1-ol

(1,2,3-13C3)propan-1-ol (PubChem CID 71309548) has the molecular formula C3H8O and a molecular weight of 63.07 g/mol. Its IUPAC name is (1,2,3-13C3)propan-1-ol.

Molecular Properties

Compound Name(1,2,3-13C3)propan-1-ol
PubChem CID71309548
Molecular FormulaC3H8O
Molecular Weight63.07 g/mol
Exact Mass63.07
IUPAC Name(1,2,3-13C3)propan-1-ol
SMILES[13CH3][13CH2][13CH2]O
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1+1,2+1,3+1
InChIKeyBDERNNFJNOPAEC-VMIGTVKRSA-N
XLogP0.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.07
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,2,3-13C3)propan-1-ol?
The IUPAC name of (1,2,3-13C3)propan-1-ol (CID 71309548) is (1,2,3-13C3)propan-1-ol.
What is the SMILES notation for (1,2,3-13C3)propan-1-ol?
The canonical SMILES for (1,2,3-13C3)propan-1-ol is [13CH3][13CH2][13CH2]O.
What is the InChIKey of (1,2,3-13C3)propan-1-ol?
The InChIKey is BDERNNFJNOPAEC-VMIGTVKRSA-N. The full InChI is InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i1+1,2+1,3+1.
What are the key properties of (1,2,3-13C3)propan-1-ol?
(1,2,3-13C3)propan-1-ol has a molecular weight of 63.07 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3-13C3)propan-1-ol is sourced from PubChem (CID 71309548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).