2-(113C)methyl(113C)butan-2-ol

C5H12O — CID 24872264

IUPAC2-(113C)methyl(113C)butan-2-ol
SMILESCCC([13CH3])([13CH3])O
InChIInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3/i2+1,3+1
InChIKeyMSXVEPNJUHWQHW-SUEIGJEOSA-N
MW90.13 g/mol
LogP1.17
Rot. Bonds1

About 2-(113C)methyl(113C)butan-2-ol

2-(113C)methyl(113C)butan-2-ol (PubChem CID 24872264) has the molecular formula C5H12O and a molecular weight of 90.13 g/mol. Its IUPAC name is 2-(113C)methyl(113C)butan-2-ol.

Molecular Properties

Compound Name2-(113C)methyl(113C)butan-2-ol
PubChem CID24872264
Molecular FormulaC5H12O
Molecular Weight90.13 g/mol
Exact Mass90.10
IUPAC Name2-(113C)methyl(113C)butan-2-ol
SMILESCCC([13CH3])([13CH3])O
InChIInChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3/i2+1,3+1
InChIKeyMSXVEPNJUHWQHW-SUEIGJEOSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.13
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-2-butanol
CID 6405
tert-Butanol
CID 6386
3-methyl-3-Pentanol
CID 6493
2-Methylpentan-2-ol
CID 11543
3-Ethyl-3-pentanol
CID 11702
Potassium tert-butoxide
CID 86639980
2,3-Dimethyl-2-butanol
CID 11670
1-Ethylcyclopropanol
CID 545093
Sodium tert-butoxide
CID 45051916
2-methylpropan-2-(2H)ol
CID 517695
(2H10)-2-Methylpropan-2-ol
CID 2723971
2-(~2~H_3_)Methyl(~2~H_6_)propan-2-ol
CID 12985037

Frequently Asked Questions

What is the IUPAC name of 2-(113C)methyl(113C)butan-2-ol?
The IUPAC name of 2-(113C)methyl(113C)butan-2-ol (CID 24872264) is 2-(113C)methyl(113C)butan-2-ol.
What is the SMILES notation for 2-(113C)methyl(113C)butan-2-ol?
The canonical SMILES for 2-(113C)methyl(113C)butan-2-ol is CCC([13CH3])([13CH3])O.
What is the InChIKey of 2-(113C)methyl(113C)butan-2-ol?
The InChIKey is MSXVEPNJUHWQHW-SUEIGJEOSA-N. The full InChI is InChI=1S/C5H12O/c1-4-5(2,3)6/h6H,4H2,1-3H3/i2+1,3+1.
What are the key properties of 2-(113C)methyl(113C)butan-2-ol?
2-(113C)methyl(113C)butan-2-ol has a molecular weight of 90.13 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(113C)methyl(113C)butan-2-ol is sourced from PubChem (CID 24872264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).