bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate

C15H22O6 — CID 87920917

IUPACbis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCOC=CC)C(=O)OCCOC=CC
InChIInChI=1S/C15H22O6/c1-4-6-18-8-10-20-14(16)12-13(3)15(17)21-11-9-19-7-5-2/h4-7H,3,8-12H2,1-2H3
InChIKeyZKWPGBBANXGYRA-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.12
Rot. Bonds11

About bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate

bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate (PubChem CID 87920917) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate
PubChem CID87920917
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Namebis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCOC=CC)C(=O)OCCOC=CC
InChIInChI=1S/C15H22O6/c1-4-6-18-8-10-20-14(16)12-13(3)15(17)21-11-9-19-7-5-2/h4-7H,3,8-12H2,1-2H3
InChIKeyZKWPGBBANXGYRA-UHFFFAOYSA-N
XLogP2.12
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-sulfanylethyl) 2-methylidenebutanedioate
CID 54397703
dipentyl 2-methylidenebutanedioate
CID 18618577
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate
CID 173377399
1-O-but-2-enyl 4-O-prop-2-enyl 2-methylidenebutanedioate
CID 175499446
dioctyl 2-methylidenebutanedioate;2-methylbuta-1,3-diene
CID 174651213
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
3-[2-[2-(carboxymethyl)prop-2-enoyloxy]ethoxycarbonyl]but-3-enoic acid
CID 54264281

Frequently Asked Questions

What is the IUPAC name of bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate?
The IUPAC name of bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate (CID 87920917) is bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate?
The canonical SMILES for bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate is C=C(CC(=O)OCCOC=CC)C(=O)OCCOC=CC.
What is the InChIKey of bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate?
The InChIKey is ZKWPGBBANXGYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-4-6-18-8-10-20-14(16)12-13(3)15(17)21-11-9-19-7-5-2/h4-7H,3,8-12H2,1-2H3.
What are the key properties of bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate?
bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate has a molecular weight of 298.33 g/mol, XLogP of 2.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate is sourced from PubChem (CID 87920917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).