(1,2,3,4-13C4)butane

C4H10 — CID 71309065

IUPAC(1,2,3,4-13C4)butane
SMILES[13CH3][13CH2][13CH2][13CH3]
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1
InChIKeyIJDNQMDRQITEOD-JCDJMFQYSA-N
MW62.09 g/mol
LogP1.81
Rot. Bonds1

About (1,2,3,4-13C4)butane

(1,2,3,4-13C4)butane (PubChem CID 71309065) has the molecular formula C4H10 and a molecular weight of 62.09 g/mol. Its IUPAC name is (1,2,3,4-13C4)butane.

Molecular Properties

Compound Name(1,2,3,4-13C4)butane
PubChem CID71309065
Molecular FormulaC4H10
Molecular Weight62.09 g/mol
Exact Mass62.09
IUPAC Name(1,2,3,4-13C4)butane
SMILES[13CH3][13CH2][13CH2][13CH3]
InChIInChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1
InChIKeyIJDNQMDRQITEOD-JCDJMFQYSA-N
XLogP1.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.09
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1,2,3,4-13C4)butane?
The IUPAC name of (1,2,3,4-13C4)butane (CID 71309065) is (1,2,3,4-13C4)butane.
What is the SMILES notation for (1,2,3,4-13C4)butane?
The canonical SMILES for (1,2,3,4-13C4)butane is [13CH3][13CH2][13CH2][13CH3].
What is the InChIKey of (1,2,3,4-13C4)butane?
The InChIKey is IJDNQMDRQITEOD-JCDJMFQYSA-N. The full InChI is InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1+1,2+1,3+1,4+1.
What are the key properties of (1,2,3,4-13C4)butane?
(1,2,3,4-13C4)butane has a molecular weight of 62.09 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,3,4-13C4)butane is sourced from PubChem (CID 71309065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).