2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol

C18H36O6 — CID 87592422

IUPAC2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
SMILESC=CCOC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C18H36O6/c1-7-8-20-15(3)10-22-17(5)12-24-18(6)13-23-16(4)11-21-14(2)9-19/h7,14-19H,1,8-13H2,2-6H3
InChIKeyHCWHPRMIDPAPFA-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.19
Rot. Bonds16

About 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol

2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol (PubChem CID 87592422) has the molecular formula C18H36O6 and a molecular weight of 348.48 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol.

Molecular Properties

Compound Name2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
PubChem CID87592422
Molecular FormulaC18H36O6
Molecular Weight348.48 g/mol
Exact Mass348.25
IUPAC Name2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
SMILESC=CCOC(C)COC(C)COC(C)COC(C)COC(C)CO
InChIInChI=1S/C18H36O6/c1-7-8-20-15(3)10-22-17(5)12-24-18(6)13-23-16(4)11-21-14(2)9-19/h7,14-19H,1,8-13H2,2-6H3
InChIKeyHCWHPRMIDPAPFA-UHFFFAOYSA-N
XLogP2.19
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The IUPAC name of 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol (CID 87592422) is 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol.
What is the SMILES notation for 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The canonical SMILES for 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol is C=CCOC(C)COC(C)COC(C)COC(C)COC(C)CO.
What is the InChIKey of 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
The InChIKey is HCWHPRMIDPAPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O6/c1-7-8-20-15(3)10-22-17(5)12-24-18(6)13-23-16(4)11-21-14(2)9-19/h7,14-19H,1,8-13H2,2-6H3.
What are the key properties of 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol?
2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol has a molecular weight of 348.48 g/mol, XLogP of 2.19, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-prop-2-enoxypropoxy)propoxy]propoxy]propoxy]propan-1-ol is sourced from PubChem (CID 87592422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).