(2S)-1-methoxypropan-2-ol

C4H10O2 — CID 6993459

IUPAC(2S)-1-methoxypropan-2-ol
SMILESCOC[C@H](C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyARXJGSRGQADJSQ-BYPYZUCNSA-N
MW90.12 g/mol
LogP0.01
Rot. Bonds2

About (2S)-1-methoxypropan-2-ol

(2S)-1-methoxypropan-2-ol (PubChem CID 6993459) has the molecular formula C4H10O2 and a molecular weight of 90.12 g/mol. Its IUPAC name is (2S)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-methoxypropan-2-ol
PubChem CID6993459
Molecular FormulaC4H10O2
Molecular Weight90.12 g/mol
Exact Mass90.07
IUPAC Name(2S)-1-methoxypropan-2-ol
SMILESCOC[C@H](C)O
InChIInChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m0/s1
InChIKeyARXJGSRGQADJSQ-BYPYZUCNSA-N
XLogP0.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.12
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methoxypropan-2-ol?
The IUPAC name of (2S)-1-methoxypropan-2-ol (CID 6993459) is (2S)-1-methoxypropan-2-ol.
What is the SMILES notation for (2S)-1-methoxypropan-2-ol?
The canonical SMILES for (2S)-1-methoxypropan-2-ol is COC[C@H](C)O.
What is the InChIKey of (2S)-1-methoxypropan-2-ol?
The InChIKey is ARXJGSRGQADJSQ-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H10O2/c1-4(5)3-6-2/h4-5H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-1-methoxypropan-2-ol?
(2S)-1-methoxypropan-2-ol has a molecular weight of 90.12 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methoxypropan-2-ol is sourced from PubChem (CID 6993459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).