bis(2-methylprop-2-enoic acid);2-pentoxyethanol

C15H28O6 — CID 22218874

IUPACbis(2-methylprop-2-enoic acid);2-pentoxyethanol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCOCCO
InChIInChI=1S/C7H16O2.2C4H6O2/c1-2-3-4-6-9-7-5-8;2*1-3(2)4(5)6/h8H,2-7H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyPGVKAFXTXBBXBE-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.48
Rot. Bonds8

About bis(2-methylprop-2-enoic acid);2-pentoxyethanol

bis(2-methylprop-2-enoic acid);2-pentoxyethanol (PubChem CID 22218874) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is bis(2-methylprop-2-enoic acid);2-pentoxyethanol.

Molecular Properties

Compound Namebis(2-methylprop-2-enoic acid);2-pentoxyethanol
PubChem CID22218874
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Namebis(2-methylprop-2-enoic acid);2-pentoxyethanol
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCOCCO
InChIInChI=1S/C7H16O2.2C4H6O2/c1-2-3-4-6-9-7-5-8;2*1-3(2)4(5)6/h8H,2-7H2,1H3;2*1H2,2H3,(H,5,6)
InChIKeyPGVKAFXTXBBXBE-UHFFFAOYSA-N
XLogP2.48
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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]ethanol;2-methylprop-2-enoic acid
CID 88625291
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;tetrakis(2-methylprop-2-enoic acid)
CID 173364076
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]ethanol;2-methylprop-2-enoic acid
CID 88626217
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 87059902
acetic acid;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;2-methylprop-2-enoic acid
CID 175016263
1-hexoxy-2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylprop-2-enoic acid
CID 88724515
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);octadecane
CID 173068798
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-tetradecoxyethanol
CID 16491
acetic acid;2-[2-(3-dodecoxypropylamino)ethoxy]ethanol
CID 170851878
decan-1-ol;2-methylprop-2-enoic acid
CID 174640538

Frequently Asked Questions

What is the IUPAC name of bis(2-methylprop-2-enoic acid);2-pentoxyethanol?
The IUPAC name of bis(2-methylprop-2-enoic acid);2-pentoxyethanol (CID 22218874) is bis(2-methylprop-2-enoic acid);2-pentoxyethanol.
What is the SMILES notation for bis(2-methylprop-2-enoic acid);2-pentoxyethanol?
The canonical SMILES for bis(2-methylprop-2-enoic acid);2-pentoxyethanol is C=C(C)C(=O)O.C=C(C)C(=O)O.CCCCCOCCO.
What is the InChIKey of bis(2-methylprop-2-enoic acid);2-pentoxyethanol?
The InChIKey is PGVKAFXTXBBXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.2C4H6O2/c1-2-3-4-6-9-7-5-8;2*1-3(2)4(5)6/h8H,2-7H2,1H3;2*1H2,2H3,(H,5,6).
What are the key properties of bis(2-methylprop-2-enoic acid);2-pentoxyethanol?
bis(2-methylprop-2-enoic acid);2-pentoxyethanol has a molecular weight of 304.38 g/mol, XLogP of 2.48, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylprop-2-enoic acid);2-pentoxyethanol is sourced from PubChem (CID 22218874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).