2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol

C9H20O4 — CID 103185077

IUPAC2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
SMILESCOCCCOCCC(CO)CO
InChIInChI=1S/C9H20O4/c1-12-4-2-5-13-6-3-9(7-10)8-11/h9-11H,2-8H2,1H3
InChIKeyJNKRALXHKSLXCB-UHFFFAOYSA-N
MW192.25 g/mol
LogP0.03
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol

2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol (PubChem CID 103185077) has the molecular formula C9H20O4 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
PubChem CID103185077
Molecular FormulaC9H20O4
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
SMILESCOCCCOCCC(CO)CO
InChIInChI=1S/C9H20O4/c1-12-4-2-5-13-6-3-9(7-10)8-11/h9-11H,2-8H2,1H3
InChIKeyJNKRALXHKSLXCB-UHFFFAOYSA-N
XLogP0.03
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627
1-(3-methoxypropoxy)-3-methylbutane
CID 18925853
2-ethyl-5-methoxypentan-1-ol
CID 66059836
(2R)-2-ethyl-5-methoxypentan-1-ol
CID 59157920
3-(bromomethyl)-1-(3-methoxypropoxy)-5-methylhexane
CID 103185020
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pentan-1-ol
CID 104568624
2-ethyl-4-methoxybutan-1-ol
CID 66058779
5-ethoxy-2-(2-ethoxyethyl)pentan-1-ol
CID 121218996
5-methoxy-2-propylpentan-1-ol
CID 66060260
2-(4-butoxybutyl)propane-1,3-diol
CID 168858104
2-amino-3-[2-(3-methoxypropoxy)ethoxy]propan-1-ol
CID 103181539

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol (CID 103185077) is 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol is COCCCOCCC(CO)CO.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol?
The InChIKey is JNKRALXHKSLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4/c1-12-4-2-5-13-6-3-9(7-10)8-11/h9-11H,2-8H2,1H3.
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol?
2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol has a molecular weight of 192.25 g/mol, XLogP of 0.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol is sourced from PubChem (CID 103185077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).