1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol

C16H32O8 — CID 13123213

IUPAC1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCCOCCOCCOCCOCCO
InChIInChI=1S/C16H32O8/c1-2-4-23-14-16(18)15-24-13-12-22-11-10-21-9-8-20-7-6-19-5-3-17/h2,16-18H,1,3-15H2
InChIKeyQHTZOWZCNHDJTG-UHFFFAOYSA-N
MW352.42 g/mol
LogP-0.37
Rot. Bonds20

About 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol

1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol (PubChem CID 13123213) has the molecular formula C16H32O8 and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol
PubChem CID13123213
Molecular FormulaC16H32O8
Molecular Weight352.42 g/mol
Exact Mass352.21
IUPAC Name1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)COCCOCCOCCOCCOCCO
InChIInChI=1S/C16H32O8/c1-2-4-23-14-16(18)15-24-13-12-22-11-10-21-9-8-20-7-6-19-5-3-17/h2,16-18H,1,3-15H2
InChIKeyQHTZOWZCNHDJTG-UHFFFAOYSA-N
XLogP-0.37
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol (CID 13123213) is 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)COCCOCCOCCOCCOCCO.
What is the InChIKey of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
The InChIKey is QHTZOWZCNHDJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O8/c1-2-4-23-14-16(18)15-24-13-12-22-11-10-21-9-8-20-7-6-19-5-3-17/h2,16-18H,1,3-15H2.
What are the key properties of 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol?
1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol has a molecular weight of 352.42 g/mol, XLogP of -0.37, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 13123213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).