2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)

C46H86O4 — CID 173326779

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/C10H14O4.12C3H6/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;12*1-3-2/h1,3,5-6H2,2,4H3;12*3H,1H2,2H3
InChIKeyCAQBFUKJYDXWBT-UHFFFAOYSA-N
MW703.19 g/mol
LogP15.53
Rot. Bonds5

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene) (PubChem CID 173326779) has the molecular formula C46H86O4 and a molecular weight of 703.19 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene).

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
PubChem CID173326779
Molecular FormulaC46H86O4
Molecular Weight703.19 g/mol
Exact Mass702.65
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC
InChIInChI=1S/C10H14O4.12C3H6/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;12*1-3-2/h1,3,5-6H2,2,4H3;12*3H,1H2,2H3
InChIKeyCAQBFUKJYDXWBT-UHFFFAOYSA-N
XLogP15.53
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.19
LogP ≤ 515.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-ethenoxyethyl 2-methylprop-2-enoate
CID 15105
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene) (CID 173326779) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene).
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene) is C=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.C=CC.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)?
The InChIKey is CAQBFUKJYDXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.12C3H6/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;12*1-3-2/h1,3,5-6H2,2,4H3;12*3H,1H2,2H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)?
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene) has a molecular weight of 703.19 g/mol, XLogP of 15.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene) is sourced from PubChem (CID 173326779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).