1-methoxypentane;propane-1,2,3-triol

C9H22O4 — CID 87888974

IUPAC1-methoxypentane;propane-1,2,3-triol
SMILESCCCCCOC.OCC(O)CO
InChIInChI=1S/C6H14O.C3H8O3/c1-3-4-5-6-7-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2
InChIKeyGYGQYZJOZKPPTH-UHFFFAOYSA-N
MW194.27 g/mol
LogP0.15
Rot. Bonds6

About 1-methoxypentane;propane-1,2,3-triol

1-methoxypentane;propane-1,2,3-triol (PubChem CID 87888974) has the molecular formula C9H22O4 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxypentane;propane-1,2,3-triol.

Molecular Properties

Compound Name1-methoxypentane;propane-1,2,3-triol
PubChem CID87888974
Molecular FormulaC9H22O4
Molecular Weight194.27 g/mol
Exact Mass194.15
IUPAC Name1-methoxypentane;propane-1,2,3-triol
SMILESCCCCCOC.OCC(O)CO
InChIInChI=1S/C6H14O.C3H8O3/c1-3-4-5-6-7-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2
InChIKeyGYGQYZJOZKPPTH-UHFFFAOYSA-N
XLogP0.15
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-dodecoxydodecane;decakis(propane-1,2,3-triol)
CID 18779938
1-nonoxynonane;propane-1,2,3-triol
CID 87147936
1-hexadecoxyhexadecane;bis(propane-1,2,3-triol)
CID 18958593
1-dodecoxydodecane;tetrakis(propane-1,2,3-triol)
CID 18779944
1-octadecoxyoctadecane;propane-1,2,3-triol
CID 22182873
1-decoxydecane;decakis(propane-1,2,3-triol)
CID 173382883
1-hexoxyhexane;1-nonoxynonane;tris(propane-1,2,3-triol);1-propoxypropane
CID 174343776
1-methoxyhexan-2-ol;propane-1,2,3-triol
CID 162066380
bis(ethane-1,2-diol);1-methoxyheptane
CID 91824258
1-methoxyhexacosane
CID 20780514
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
azane;1-methoxydodecane
CID 174553670

Frequently Asked Questions

What is the IUPAC name of 1-methoxypentane;propane-1,2,3-triol?
The IUPAC name of 1-methoxypentane;propane-1,2,3-triol (CID 87888974) is 1-methoxypentane;propane-1,2,3-triol.
What is the SMILES notation for 1-methoxypentane;propane-1,2,3-triol?
The canonical SMILES for 1-methoxypentane;propane-1,2,3-triol is CCCCCOC.OCC(O)CO.
What is the InChIKey of 1-methoxypentane;propane-1,2,3-triol?
The InChIKey is GYGQYZJOZKPPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O.C3H8O3/c1-3-4-5-6-7-2;4-1-3(6)2-5/h3-6H2,1-2H3;3-6H,1-2H2.
What are the key properties of 1-methoxypentane;propane-1,2,3-triol?
1-methoxypentane;propane-1,2,3-triol has a molecular weight of 194.27 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypentane;propane-1,2,3-triol is sourced from PubChem (CID 87888974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).