(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol

C9H20O4 — CID 103179631

IUPAC(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
SMILESCOCCCOCCOC[C@H](C)O
InChIInChI=1S/C9H20O4/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHVKIBQFHTNTQRK-VIFPVBQESA-N
MW192.25 g/mol
LogP0.44
Rot. Bonds9

About (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol

(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol (PubChem CID 103179631) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
PubChem CID103179631
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol
SMILESCOCCCOCCOC[C@H](C)O
InChIInChI=1S/C9H20O4/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHVKIBQFHTNTQRK-VIFPVBQESA-N
XLogP0.44
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-[2-[4-[2-(2-hydroxypropoxy)propoxy]butoxy]ethoxy]propan-2-ol
CID 163521633
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-ol
CID 86587580
2-(2-hydroxyethoxy)ethanol;1-[2-(2-hydroxyethoxy)ethoxy]propan-2-ol
CID 161004910
1-methoxy-8-[3-[5-(2-methoxyethoxy)pentoxy]-2-methylpropoxy]octane
CID 129036094
1-[2-(1-methoxypropan-2-yloxy)ethoxy]propan-2-ol
CID 18709988
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539
2-[3-(2-methoxyethoxy)propoxy]-1-(methylamino)ethanol
CID 146605981
2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethane-1,1-diol
CID 87208063
(2S)-1-octoxypropan-2-ol
CID 55250295

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The IUPAC name of (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol (CID 103179631) is (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The canonical SMILES for (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol is COCCCOCCOC[C@H](C)O.
What is the InChIKey of (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
The InChIKey is HVKIBQFHTNTQRK-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20O4/c1-9(10)8-13-7-6-12-5-3-4-11-2/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol?
(2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol has a molecular weight of 192.25 g/mol, XLogP of 0.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methoxypropoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 103179631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).