2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol

C9H20O4 — CID 57250995

IUPAC2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)CO[C@@H](C)COC(C)CO
InChIInChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7?,8?,9-/m0/s1
InChIKeyLCZVSXRMYJUNFX-HACHORDNSA-N
MW192.25 g/mol
LogP0.17
Rot. Bonds7

About 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol

2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol (PubChem CID 57250995) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
PubChem CID57250995
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol
SMILESCC(O)CO[C@@H](C)COC(C)CO
InChIInChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7?,8?,9-/m0/s1
InChIKeyLCZVSXRMYJUNFX-HACHORDNSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 135398128
(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[(2R)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 52944184
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 129258007
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 22051694
boric acid;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 175051763
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 88779940
1-ethoxypropan-2-ol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 161457243
2-butan-2-yloxybutane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 87745303
2-ethoxypropane;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 134346005
butanedioic acid;2-[2-[2-[2-[2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 175203515
ethane-1,2-diol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;bis(prop-1-ene)
CID 173215774
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol
CID 22918050

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The IUPAC name of 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol (CID 57250995) is 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol.
What is the SMILES notation for 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The canonical SMILES for 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol is CC(O)CO[C@@H](C)COC(C)CO.
What is the InChIKey of 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol?
The InChIKey is LCZVSXRMYJUNFX-HACHORDNSA-N. The full InChI is InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7?,8?,9-/m0/s1.
What are the key properties of 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol?
2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol has a molecular weight of 192.25 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-hydroxypropoxy)propoxy]propan-1-ol is sourced from PubChem (CID 57250995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).