2-(2-hydroxypropoxy)hexan-3-ol

C9H20O3 — CID 22507183

IUPAC2-(2-hydroxypropoxy)hexan-3-ol
SMILESCCCC(O)C(C)OCC(C)O
InChIInChI=1S/C9H20O3/c1-4-5-9(11)8(3)12-6-7(2)10/h7-11H,4-6H2,1-3H3
InChIKeyMFIOSUOEUFSJBN-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.93
Rot. Bonds6

About 2-(2-hydroxypropoxy)hexan-3-ol

2-(2-hydroxypropoxy)hexan-3-ol (PubChem CID 22507183) has the molecular formula C9H20O3 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(2-hydroxypropoxy)hexan-3-ol.

Molecular Properties

Compound Name2-(2-hydroxypropoxy)hexan-3-ol
PubChem CID22507183
Molecular FormulaC9H20O3
Molecular Weight176.26 g/mol
Exact Mass176.14
IUPAC Name2-(2-hydroxypropoxy)hexan-3-ol
SMILESCCCC(O)C(C)OCC(C)O
InChIInChI=1S/C9H20O3/c1-4-5-9(11)8(3)12-6-7(2)10/h7-11H,4-6H2,1-3H3
InChIKeyMFIOSUOEUFSJBN-UHFFFAOYSA-N
XLogP0.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-heptan-4-yloxypropan-2-ol
CID 140681787
(1R,2R)-1-[(2S)-2-hydroxypropoxy]propane-1,2-diol
CID 118964156
hexane-2,3-diol
CID 159913798
3-ethoxy-1-propan-2-yloxybutan-2-ol
CID 79567454
octane-4,5-diol;hydrate
CID 141056272
(2R)-pentan-2-ol
CID 7014876
3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
CID 19968656
1-(3-methyloctan-4-yloxy)propan-2-ol
CID 142712331
cyclohexane;pentan-2-ol
CID 67677243
1-(1-phenylbutoxy)propan-2-ol
CID 139655590
3-ethoxy-4-(2-hydroxypropoxy)pentan-2-one
CID 89154446
decane-4,5,6,7-tetrol
CID 73238857

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypropoxy)hexan-3-ol?
The IUPAC name of 2-(2-hydroxypropoxy)hexan-3-ol (CID 22507183) is 2-(2-hydroxypropoxy)hexan-3-ol.
What is the SMILES notation for 2-(2-hydroxypropoxy)hexan-3-ol?
The canonical SMILES for 2-(2-hydroxypropoxy)hexan-3-ol is CCCC(O)C(C)OCC(C)O.
What is the InChIKey of 2-(2-hydroxypropoxy)hexan-3-ol?
The InChIKey is MFIOSUOEUFSJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3/c1-4-5-9(11)8(3)12-6-7(2)10/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(2-hydroxypropoxy)hexan-3-ol?
2-(2-hydroxypropoxy)hexan-3-ol has a molecular weight of 176.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypropoxy)hexan-3-ol is sourced from PubChem (CID 22507183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).