5-methoxy-3-(methoxymethoxy)pentan-1-ol

C8H18O4 — CID 146175623

IUPAC5-methoxy-3-(methoxymethoxy)pentan-1-ol
SMILESCOCCC(CCO)OCOC
InChIInChI=1S/C8H18O4/c1-10-6-4-8(3-5-9)12-7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyTXAPGYVWSZKOMQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.39
Rot. Bonds8

About 5-methoxy-3-(methoxymethoxy)pentan-1-ol

5-methoxy-3-(methoxymethoxy)pentan-1-ol (PubChem CID 146175623) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5-methoxy-3-(methoxymethoxy)pentan-1-ol.

Molecular Properties

Compound Name5-methoxy-3-(methoxymethoxy)pentan-1-ol
PubChem CID146175623
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Name5-methoxy-3-(methoxymethoxy)pentan-1-ol
SMILESCOCCC(CCO)OCOC
InChIInChI=1S/C8H18O4/c1-10-6-4-8(3-5-9)12-7-11-2/h8-9H,3-7H2,1-2H3
InChIKeyTXAPGYVWSZKOMQ-UHFFFAOYSA-N
XLogP0.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-1,5-dimethoxypentane
CID 20810650
(5S)-5-(methoxymethoxy)hexadecan-1-ol
CID 134973522
1-(methoxymethoxy)propane-1,3-diol
CID 175692192
2-ethoxy-1,4-dimethoxybutane
CID 87963215
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
(3S)-3-(methoxymethoxy)-7-trityloxyheptan-1-ol
CID 11070122
(3S,4S)-4-(methoxymethoxy)-3-methylpentan-1-ol
CID 101465372
3-propoxyhexan-1-ol
CID 139839964
3-ethoxyheptane-1,7-diol
CID 57097049
(2S)-2-ethoxybutane-1,4-diol
CID 89342985
(2S)-2-(methoxymethoxy)hex-5-en-1-ol
CID 11506501
(2R,3R)-2,3-bis(methoxymethoxy)butane-1,4-diol
CID 11063695

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(methoxymethoxy)pentan-1-ol?
The IUPAC name of 5-methoxy-3-(methoxymethoxy)pentan-1-ol (CID 146175623) is 5-methoxy-3-(methoxymethoxy)pentan-1-ol.
What is the SMILES notation for 5-methoxy-3-(methoxymethoxy)pentan-1-ol?
The canonical SMILES for 5-methoxy-3-(methoxymethoxy)pentan-1-ol is COCCC(CCO)OCOC.
What is the InChIKey of 5-methoxy-3-(methoxymethoxy)pentan-1-ol?
The InChIKey is TXAPGYVWSZKOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4/c1-10-6-4-8(3-5-9)12-7-11-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 5-methoxy-3-(methoxymethoxy)pentan-1-ol?
5-methoxy-3-(methoxymethoxy)pentan-1-ol has a molecular weight of 178.23 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(methoxymethoxy)pentan-1-ol is sourced from PubChem (CID 146175623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).