(2S)-3-methylbutan-2-ol

C5H12O — CID 6999784

IUPAC(2S)-3-methylbutan-2-ol
SMILESCC(C)[C@H](C)O
InChIInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1
InChIKeyMXLMTQWGSQIYOW-YFKPBYRVSA-N
MW88.15 g/mol
LogP1.02
Rot. Bonds1

About (2S)-3-methylbutan-2-ol

(2S)-3-methylbutan-2-ol (PubChem CID 6999784) has the molecular formula C5H12O and a molecular weight of 88.15 g/mol. Its IUPAC name is (2S)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(2S)-3-methylbutan-2-ol
PubChem CID6999784
Molecular FormulaC5H12O
Molecular Weight88.15 g/mol
Exact Mass88.09
IUPAC Name(2S)-3-methylbutan-2-ol
SMILESCC(C)[C@H](C)O
InChIInChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1
InChIKeyMXLMTQWGSQIYOW-YFKPBYRVSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methylbutan-2-ol?
The IUPAC name of (2S)-3-methylbutan-2-ol (CID 6999784) is (2S)-3-methylbutan-2-ol.
What is the SMILES notation for (2S)-3-methylbutan-2-ol?
The canonical SMILES for (2S)-3-methylbutan-2-ol is CC(C)[C@H](C)O.
What is the InChIKey of (2S)-3-methylbutan-2-ol?
The InChIKey is MXLMTQWGSQIYOW-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m0/s1.
What are the key properties of (2S)-3-methylbutan-2-ol?
(2S)-3-methylbutan-2-ol has a molecular weight of 88.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methylbutan-2-ol is sourced from PubChem (CID 6999784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).