1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol

C12H26O4 — CID 174990741

IUPAC1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
SMILESCCCOC(CC)CC(O)COC(C)CO
InChIInChI=1S/C12H26O4/c1-4-6-15-12(5-2)7-11(14)9-16-10(3)8-13/h10-14H,4-9H2,1-3H3
InChIKeyLGVRYWPYFSFYGW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.34
Rot. Bonds10

About 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol

1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol (PubChem CID 174990741) has the molecular formula C12H26O4 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
PubChem CID174990741
Molecular FormulaC12H26O4
Molecular Weight234.34 g/mol
Exact Mass234.18
IUPAC Name1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol
SMILESCCCOC(CC)CC(O)COC(C)CO
InChIInChI=1S/C12H26O4/c1-4-6-15-12(5-2)7-11(14)9-16-10(3)8-13/h10-14H,4-9H2,1-3H3
InChIKeyLGVRYWPYFSFYGW-UHFFFAOYSA-N
XLogP1.34
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[2-(2-propoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 87591136
2-(2-hydroxypropoxy)propan-1-ol;1-propoxypropane
CID 23067081
1-dodecoxy-3-[1-(1-hydroxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
CID 87802655
1-(1-hydroxypropan-2-yloxy)decan-2-ol
CID 160879010
1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
(2R,4R)-2-ethyl-4-(2-hydroxybutoxy)hexan-1-ol
CID 11543074
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-butoxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 88651680
1-[1-(1-methoxypropan-2-yloxy)butan-2-yloxy]butan-2-ol
CID 169296791
2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol;1-propoxybutane
CID 87650391
5-(2-ethoxyethoxy)-1-(1-hydroxypropan-2-yloxy)pentan-2-ol
CID 175055675
3-(4-hydroxypentan-2-yloxy)propane-1,2-diol
CID 126566671
(2S)-2-(2-hydroxyethoxy)propan-1-ol
CID 87093044

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol?
The IUPAC name of 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol (CID 174990741) is 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol is CCCOC(CC)CC(O)COC(C)CO.
What is the InChIKey of 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol?
The InChIKey is LGVRYWPYFSFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O4/c1-4-6-15-12(5-2)7-11(14)9-16-10(3)8-13/h10-14H,4-9H2,1-3H3.
What are the key properties of 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol?
1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol has a molecular weight of 234.34 g/mol, XLogP of 1.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yloxy)-4-propoxyhexan-2-ol is sourced from PubChem (CID 174990741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).