1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol

C12H28O6 — CID 57483531

IUPAC1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(C)O.CCC(O)OC(O)CC
InChIInChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-3-5(7)9-6(8)4-2/h2*5-8H,3-4H2,1-2H3
InChIKeyZWHXRCBKXVJADE-UHFFFAOYSA-N
MW268.35 g/mol
LogP0.22
Rot. Bonds8

About 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol

1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol (PubChem CID 57483531) has the molecular formula C12H28O6 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
PubChem CID57483531
Molecular FormulaC12H28O6
Molecular Weight268.35 g/mol
Exact Mass268.19
IUPAC Name1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol
SMILESCC(O)COCC(C)O.CCC(O)OC(O)CC
InChIInChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-3-5(7)9-6(8)4-2/h2*5-8H,3-4H2,1-2H3
InChIKeyZWHXRCBKXVJADE-UHFFFAOYSA-N
XLogP0.22
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
(1R)-1-[(2R)-butan-2-yl]oxypropan-1-ol
CID 88904720
2-(1-hydroxypropoxy)propane-1,1-diol
CID 91224163
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
1-[2-(1-hydroxypropoxy)propoxy]propan-1-ol
CID 22833317
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-[2-(1-phosphanyloxypropan-2-yloxy)propoxy]propan-2-ol
CID 59288646
2-ethoxy-1-(2-ethoxy-1-hydroxyethoxy)ethanol
CID 87485904
(2S)-1-butoxypropan-2-ol
CID 54289557
1-[2-[2-[1-(2-methoxypropoxy)propan-2-yloxy]ethoxy]propoxy]propan-2-ol
CID 122545429
2-(hydroxymethyl)-2-(2-hydroxypropoxymethyl)propane-1,3-diol
CID 21493299
1-(2-hydroxyethoxy)propan-2-ol
CID 19360868

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The IUPAC name of 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol (CID 57483531) is 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The canonical SMILES for 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol is CC(O)COCC(C)O.CCC(O)OC(O)CC.
What is the InChIKey of 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
The InChIKey is ZWHXRCBKXVJADE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O3/c1-5(7)3-9-4-6(2)8;1-3-5(7)9-6(8)4-2/h2*5-8H,3-4H2,1-2H3.
What are the key properties of 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol?
1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol has a molecular weight of 268.35 g/mol, XLogP of 0.22, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropoxy)propan-1-ol;1-(2-hydroxypropoxy)propan-2-ol is sourced from PubChem (CID 57483531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).