1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid

C13H26O6 — CID 88661046

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCC(O)COCCOCCO
InChIInChI=1S/C10H22O4.C3H4O2/c1-2-3-4-10(12)9-14-8-7-13-6-5-11;1-2-3(4)5/h10-12H,2-9H2,1H3;2H,1H2,(H,4,5)
InChIKeyYMOSSPYWXUPASU-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.82
Rot. Bonds11

About 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid

1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid (PubChem CID 88661046) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
PubChem CID88661046
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
SMILESC=CC(=O)O.CCCCC(O)COCCOCCO
InChIInChI=1S/C10H22O4.C3H4O2/c1-2-3-4-10(12)9-14-8-7-13-6-5-11;1-2-3(4)5/h10-12H,2-9H2,1H3;2H,1H2,(H,4,5)
InChIKeyYMOSSPYWXUPASU-UHFFFAOYSA-N
XLogP0.82
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-2-ol
CID 140523631
acetic acid;1-(2-hydroxyethoxy)hexan-2-ol
CID 87319718
azane;1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol
CID 87459588
1-(2-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-[2-(2-butoxyethoxy)ethoxy]ethanol;prop-2-enoic acid
CID 174828919
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]heptan-2-ol
CID 140523672
bis(butane-1,1-diol);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;bis(prop-2-enoic acid)
CID 158001200
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]tetradecan-2-ol
CID 139267706
azane;1-[2-(2-hydroxyethoxy)ethoxy]tetradecan-2-ol;hydrate
CID 173484113
butanedioic acid;1-(2-hydroxyethoxy)hexan-2-ol;1-(2-hydroxyethoxy)propan-2-ol
CID 161461664
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid (CID 88661046) is 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid is C=CC(=O)O.CCCCC(O)COCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid?
The InChIKey is YMOSSPYWXUPASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4.C3H4O2/c1-2-3-4-10(12)9-14-8-7-13-6-5-11;1-2-3(4)5/h10-12H,2-9H2,1H3;2H,1H2,(H,4,5).
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid?
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid has a molecular weight of 278.34 g/mol, XLogP of 0.82, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid is sourced from PubChem (CID 88661046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).