2-methyl(213C)propane

C4H10 — CID 11240418

IUPAC2-methyl(213C)propane
SMILESC[13CH](C)C
InChIInChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4+1
InChIKeyNNPPMTNAJDCUHE-AZXPZELESA-N
MW59.12 g/mol
LogP1.66
Rot. Bonds

About 2-methyl(213C)propane

2-methyl(213C)propane (PubChem CID 11240418) has the molecular formula C4H10 and a molecular weight of 59.12 g/mol. Its IUPAC name is 2-methyl(213C)propane.

Molecular Properties

Compound Name2-methyl(213C)propane
PubChem CID11240418
Molecular FormulaC4H10
Molecular Weight59.12 g/mol
Exact Mass59.08
IUPAC Name2-methyl(213C)propane
SMILESC[13CH](C)C
InChIInChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4+1
InChIKeyNNPPMTNAJDCUHE-AZXPZELESA-N
XLogP1.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50059.12
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl(213C)propane?
The IUPAC name of 2-methyl(213C)propane (CID 11240418) is 2-methyl(213C)propane.
What is the SMILES notation for 2-methyl(213C)propane?
The canonical SMILES for 2-methyl(213C)propane is C[13CH](C)C.
What is the InChIKey of 2-methyl(213C)propane?
The InChIKey is NNPPMTNAJDCUHE-AZXPZELESA-N. The full InChI is InChI=1S/C4H10/c1-4(2)3/h4H,1-3H3/i4+1.
What are the key properties of 2-methyl(213C)propane?
2-methyl(213C)propane has a molecular weight of 59.12 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl(213C)propane is sourced from PubChem (CID 11240418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).