1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate

C12H24O6 — CID 158671182

IUPAC1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC(O)COCCOCCO
InChIInChI=1S/C8H18O4.C4H6O2/c1-2-8(10)7-12-6-5-11-4-3-9;1-3-4(5)6-2/h8-10H,2-7H2,1H3;3H,1H2,2H3
InChIKeyIDYVCFGKAGIKRM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.13
Rot. Bonds9

About 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate

1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate (PubChem CID 158671182) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate.

Molecular Properties

Compound Name1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate
PubChem CID158671182
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate
SMILESC=CC(=O)OC.CCC(O)COCCOCCO
InChIInChI=1S/C8H18O4.C4H6O2/c1-2-8(10)7-12-6-5-11-4-3-9;1-3-4(5)6-2/h8-10H,2-7H2,1H3;3H,1H2,2H3
InChIKeyIDYVCFGKAGIKRM-UHFFFAOYSA-N
XLogP0.13
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxyethoxy)butan-2-ol;prop-2-enoic acid
CID 87077863
2-(2-hydroxyethoxy)ethanol;bis(methyl prop-2-enoate)
CID 160785980
2-(2-ethoxyethoxy)ethanol;methyl prop-2-enoate
CID 159658370
1-butoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;methyl prop-2-enoate
CID 158731688
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]butan-2-ol
CID 104564611
1-[2-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]ethoxy]butan-2-ol
CID 12645981
1-[2-(2-hydroxyethoxy)ethoxy]hexan-2-ol;prop-2-enoic acid
CID 88661046
1-(2-hydroxyethoxy)butan-2-ol;phosphoric acid
CID 175300111
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-1-methoxyethanol;prop-2-enoic acid
CID 87255416
[(2S)-2-hydroxybutyl] prop-2-enoate
CID 141242121
decyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-1-methoxyethanol
CID 175496624

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate?
The IUPAC name of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate (CID 158671182) is 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate.
What is the SMILES notation for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate?
The canonical SMILES for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate is C=CC(=O)OC.CCC(O)COCCOCCO.
What is the InChIKey of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate?
The InChIKey is IDYVCFGKAGIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O4.C4H6O2/c1-2-8(10)7-12-6-5-11-4-3-9;1-3-4(5)6-2/h8-10H,2-7H2,1H3;3H,1H2,2H3.
What are the key properties of 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate?
1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxyethoxy)ethoxy]butan-2-ol;methyl prop-2-enoate is sourced from PubChem (CID 158671182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).