(2S)-1,1-dimethoxypropan-2-ol

C5H12O3 — CID 10975473

IUPAC(2S)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)[C@H](C)O
InChIInChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3/t4-/m0/s1
InChIKeyPRAYXKGWSGUXQK-BYPYZUCNSA-N
MW120.15 g/mol
LogP-0.01
Rot. Bonds3

About (2S)-1,1-dimethoxypropan-2-ol

(2S)-1,1-dimethoxypropan-2-ol (PubChem CID 10975473) has the molecular formula C5H12O3 and a molecular weight of 120.15 g/mol. Its IUPAC name is (2S)-1,1-dimethoxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-dimethoxypropan-2-ol
PubChem CID10975473
Molecular FormulaC5H12O3
Molecular Weight120.15 g/mol
Exact Mass120.08
IUPAC Name(2S)-1,1-dimethoxypropan-2-ol
SMILESCOC(OC)[C@H](C)O
InChIInChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3/t4-/m0/s1
InChIKeyPRAYXKGWSGUXQK-BYPYZUCNSA-N
XLogP-0.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-dimethoxypropan-2-ol?
The IUPAC name of (2S)-1,1-dimethoxypropan-2-ol (CID 10975473) is (2S)-1,1-dimethoxypropan-2-ol.
What is the SMILES notation for (2S)-1,1-dimethoxypropan-2-ol?
The canonical SMILES for (2S)-1,1-dimethoxypropan-2-ol is COC(OC)[C@H](C)O.
What is the InChIKey of (2S)-1,1-dimethoxypropan-2-ol?
The InChIKey is PRAYXKGWSGUXQK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H12O3/c1-4(6)5(7-2)8-3/h4-6H,1-3H3/t4-/m0/s1.
What are the key properties of (2S)-1,1-dimethoxypropan-2-ol?
(2S)-1,1-dimethoxypropan-2-ol has a molecular weight of 120.15 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-dimethoxypropan-2-ol is sourced from PubChem (CID 10975473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).