3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol

C24H60O11 — CID 173210897

IUPAC3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol
SMILESCCCCOC(C)OC=C(C)C(=O)O.CCO.CCO.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C10H18O4.7C2H6O/c1-4-5-6-13-9(3)14-7-8(2)10(11)12;7*1-2-3/h7,9H,4-6H2,1-3H3,(H,11,12);7*3H,2H2,1H3
InChIKeySUWISHPTFURLBG-UHFFFAOYSA-N
MW524.73 g/mol
LogP2.14
Rot. Bonds7

About 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol

3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol (PubChem CID 173210897) has the molecular formula C24H60O11 and a molecular weight of 524.73 g/mol. Its IUPAC name is 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol.

Molecular Properties

Compound Name3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol
PubChem CID173210897
Molecular FormulaC24H60O11
Molecular Weight524.73 g/mol
Exact Mass524.41
IUPAC Name3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol
SMILESCCCCOC(C)OC=C(C)C(=O)O.CCO.CCO.CCO.CCO.CCO.CCO.CCO
InChIInChI=1S/C10H18O4.7C2H6O/c1-4-5-6-13-9(3)14-7-8(2)10(11)12;7*1-2-3/h7,9H,4-6H2,1-3H3,(H,11,12);7*3H,2H2,1H3
InChIKeySUWISHPTFURLBG-UHFFFAOYSA-N
XLogP2.14
TPSA197.37 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.73
LogP ≤ 52.14
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxyethyl (E)-4-butoxy-2-methylpent-2-enoate
CID 142687000
1-butoxyethoxymethanol
CID 19047949
3-(1-butoxyethoxy)propan-1-ol
CID 54457983
1-(1-butoxyethoxy)butane;bis(carbamothioic S-acid)
CID 87357285
1-(1-prop-1-enoxyethoxy)butane
CID 173401624
4-(1-butoxyethoxy)-2-[2-(1-butoxyethoxy)ethyl]butanoic acid
CID 87513837
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
2-(butoxymethylidene)propanedioic acid
CID 149150850
4-(1-butoxyethoxy)-2-cyanopent-2-enoic acid
CID 146547370
(2S)-2-butoxy-3-methylbutanoic acid
CID 88938476
1-[1-(1-butoxyethoxy)ethoxy]butane;propane-1,2-diol
CID 87392981
2-(1-butoxyethoxy)ethanol;pentan-1-ol
CID 88518213

Frequently Asked Questions

What is the IUPAC name of 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol?
The IUPAC name of 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol (CID 173210897) is 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol.
What is the SMILES notation for 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol?
The canonical SMILES for 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol is CCCCOC(C)OC=C(C)C(=O)O.CCO.CCO.CCO.CCO.CCO.CCO.CCO.
What is the InChIKey of 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol?
The InChIKey is SUWISHPTFURLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.7C2H6O/c1-4-5-6-13-9(3)14-7-8(2)10(11)12;7*1-2-3/h7,9H,4-6H2,1-3H3,(H,11,12);7*3H,2H2,1H3.
What are the key properties of 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol?
3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol has a molecular weight of 524.73 g/mol, XLogP of 2.14, 7 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butoxyethoxy)-2-methylprop-2-enoic acid;ethanol is sourced from PubChem (CID 173210897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).