2,3-dimethyl(213C)butan-2-ol

C6H14O — CID 100985919

IUPAC2,3-dimethyl(213C)butan-2-ol
SMILESCC(C)[13C](C)(C)O
InChIInChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3/i6+1
InChIKeyIKECULIHBUCAKR-PTQBSOBMSA-N
MW103.17 g/mol
LogP1.41
Rot. Bonds1

About 2,3-dimethyl(213C)butan-2-ol

2,3-dimethyl(213C)butan-2-ol (PubChem CID 100985919) has the molecular formula C6H14O and a molecular weight of 103.17 g/mol. Its IUPAC name is 2,3-dimethyl(213C)butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl(213C)butan-2-ol
PubChem CID100985919
Molecular FormulaC6H14O
Molecular Weight103.17 g/mol
Exact Mass103.11
IUPAC Name2,3-dimethyl(213C)butan-2-ol
SMILESCC(C)[13C](C)(C)O
InChIInChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3/i6+1
InChIKeyIKECULIHBUCAKR-PTQBSOBMSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethylbutan-2-ol;titanium
CID 151633599
2,3-dimethylbutan-2-ol;2,3-dimethylbut-2-ene;hydrate
CID 157467331
CID 154669639
CID 154669639
3-(1-hydroxyethyl)-2,4-dimethylpentane-2,4-diol
CID 87799633
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741
2-methylpropane-1,1,2-triol
CID 22500679
2,4,4,5-tetramethyl-3-propan-2-ylhexan-3-ol
CID 142313824
2,3-dimethylpentane-2,4-diol
CID 12896299
methanol;2-methylpropan-2-ol;bis(propan-2-ol)
CID 173031794
2-methyl-3-methylsulfanylbutan-2-ol
CID 15164380
4-amino-2,3,4-trimethylpentan-2-ol
CID 146264907
2,6-dihydroxy-2,3,5,6-tetramethylheptan-4-one
CID 150831609

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl(213C)butan-2-ol?
The IUPAC name of 2,3-dimethyl(213C)butan-2-ol (CID 100985919) is 2,3-dimethyl(213C)butan-2-ol.
What is the SMILES notation for 2,3-dimethyl(213C)butan-2-ol?
The canonical SMILES for 2,3-dimethyl(213C)butan-2-ol is CC(C)[13C](C)(C)O.
What is the InChIKey of 2,3-dimethyl(213C)butan-2-ol?
The InChIKey is IKECULIHBUCAKR-PTQBSOBMSA-N. The full InChI is InChI=1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3/i6+1.
What are the key properties of 2,3-dimethyl(213C)butan-2-ol?
2,3-dimethyl(213C)butan-2-ol has a molecular weight of 103.17 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl(213C)butan-2-ol is sourced from PubChem (CID 100985919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).