1-methoxyhexan-2-ol;propane-1,2,3-triol

C10H24O5 — CID 162066380

IUPAC1-methoxyhexan-2-ol;propane-1,2,3-triol
SMILESCCCCC(O)COC.OCC(O)CO
InChIInChI=1S/C7H16O2.C3H8O3/c1-3-4-5-7(8)6-9-2;4-1-3(6)2-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H2
InChIKeyZAMXBDCHVGRQMM-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.48
Rot. Bonds7

About 1-methoxyhexan-2-ol;propane-1,2,3-triol

1-methoxyhexan-2-ol;propane-1,2,3-triol (PubChem CID 162066380) has the molecular formula C10H24O5 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methoxyhexan-2-ol;propane-1,2,3-triol.

Molecular Properties

Compound Name1-methoxyhexan-2-ol;propane-1,2,3-triol
PubChem CID162066380
Molecular FormulaC10H24O5
Molecular Weight224.30 g/mol
Exact Mass224.16
IUPAC Name1-methoxyhexan-2-ol;propane-1,2,3-triol
SMILESCCCCC(O)COC.OCC(O)CO
InChIInChI=1S/C7H16O2.C3H8O3/c1-3-4-5-7(8)6-9-2;4-1-3(6)2-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H2
InChIKeyZAMXBDCHVGRQMM-UHFFFAOYSA-N
XLogP-0.48
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
1-methoxypentane;propane-1,2,3-triol
CID 87888974
1-methoxy-5-propoxypentan-2-ol
CID 106455960
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
1-butylsulfanyl-3-methoxypropan-2-ol
CID 13430383
(2S)-3-[(2R)-2-hydroxynonadecoxy]propane-1,2-diol
CID 137323866
(2S)-3-[(2R)-2-hydroxytetradecoxy]propane-1,2-diol
CID 137323862
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
hexane-1,2-diol;hexane-1,2,6-triol
CID 22728671
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
(2R)-nonadecane-1,2-diol
CID 124511707

Frequently Asked Questions

What is the IUPAC name of 1-methoxyhexan-2-ol;propane-1,2,3-triol?
The IUPAC name of 1-methoxyhexan-2-ol;propane-1,2,3-triol (CID 162066380) is 1-methoxyhexan-2-ol;propane-1,2,3-triol.
What is the SMILES notation for 1-methoxyhexan-2-ol;propane-1,2,3-triol?
The canonical SMILES for 1-methoxyhexan-2-ol;propane-1,2,3-triol is CCCCC(O)COC.OCC(O)CO.
What is the InChIKey of 1-methoxyhexan-2-ol;propane-1,2,3-triol?
The InChIKey is ZAMXBDCHVGRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C3H8O3/c1-3-4-5-7(8)6-9-2;4-1-3(6)2-5/h7-8H,3-6H2,1-2H3;3-6H,1-2H2.
What are the key properties of 1-methoxyhexan-2-ol;propane-1,2,3-triol?
1-methoxyhexan-2-ol;propane-1,2,3-triol has a molecular weight of 224.30 g/mol, XLogP of -0.48, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhexan-2-ol;propane-1,2,3-triol is sourced from PubChem (CID 162066380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).