ethane;bis(ethyl 2-methylprop-2-enoate)

C14H26O4 — CID 146295289

IUPACethane;bis(ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC
InChIInChI=1S/2C6H10O2.C2H6/c2*1-4-8-6(7)5(2)3;1-2/h2*2,4H2,1,3H3;1-2H3
InChIKeyHQGFYZCOZZKRFU-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.28
Rot. Bonds4

About ethane;bis(ethyl 2-methylprop-2-enoate)

ethane;bis(ethyl 2-methylprop-2-enoate) (PubChem CID 146295289) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethane;bis(ethyl 2-methylprop-2-enoate).

Molecular Properties

Compound Nameethane;bis(ethyl 2-methylprop-2-enoate)
PubChem CID146295289
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nameethane;bis(ethyl 2-methylprop-2-enoate)
SMILESC=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC
InChIInChI=1S/2C6H10O2.C2H6/c2*1-4-8-6(7)5(2)3;1-2/h2*2,4H2,1,3H3;1-2H3
InChIKeyHQGFYZCOZZKRFU-UHFFFAOYSA-N
XLogP3.28
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylprop-2-enoate
CID 130475774
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium;ethyl 2-methylprop-2-enoate;hydride
CID 173442862
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
butanedioic acid;bis(ethyl 2-methylprop-2-enoate)
CID 22400036
cyanic acid;ethyl 2-methylprop-2-enoate
CID 172737974
butan-2-ol;ethyl 2-methylprop-2-enoate
CID 91162607
adamantane;ethyl 2-methylprop-2-enoate
CID 175529705
ethyl 2-methylprop-2-enoate;N-methylformamide
CID 158565771
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035

Frequently Asked Questions

What is the IUPAC name of ethane;bis(ethyl 2-methylprop-2-enoate)?
The IUPAC name of ethane;bis(ethyl 2-methylprop-2-enoate) (CID 146295289) is ethane;bis(ethyl 2-methylprop-2-enoate).
What is the SMILES notation for ethane;bis(ethyl 2-methylprop-2-enoate)?
The canonical SMILES for ethane;bis(ethyl 2-methylprop-2-enoate) is C=C(C)C(=O)OCC.C=C(C)C(=O)OCC.CC.
What is the InChIKey of ethane;bis(ethyl 2-methylprop-2-enoate)?
The InChIKey is HQGFYZCOZZKRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10O2.C2H6/c2*1-4-8-6(7)5(2)3;1-2/h2*2,4H2,1,3H3;1-2H3.
What are the key properties of ethane;bis(ethyl 2-methylprop-2-enoate)?
ethane;bis(ethyl 2-methylprop-2-enoate) has a molecular weight of 258.36 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(ethyl 2-methylprop-2-enoate) is sourced from PubChem (CID 146295289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).