dimethyl 2-methylidenebutanedioate;styrene

C15H18O4 — CID 22357357

IUPACdimethyl 2-methylidenebutanedioate;styrene
SMILESC=C(CC(=O)OC)C(=O)OC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;1-5(7(9)11-3)4-6(8)10-2/h2-7H,1H2;1,4H2,2-3H3
InChIKeyDLUVGNMHNMKJIX-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds4

About dimethyl 2-methylidenebutanedioate;styrene

dimethyl 2-methylidenebutanedioate;styrene (PubChem CID 22357357) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is dimethyl 2-methylidenebutanedioate;styrene.

Molecular Properties

Compound Namedimethyl 2-methylidenebutanedioate;styrene
PubChem CID22357357
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Namedimethyl 2-methylidenebutanedioate;styrene
SMILESC=C(CC(=O)OC)C(=O)OC.C=Cc1ccccc1
InChIInChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;1-5(7(9)11-3)4-6(8)10-2/h2-7H,1H2;1,4H2,2-3H3
InChIKeyDLUVGNMHNMKJIX-UHFFFAOYSA-N
XLogP2.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
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

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(Z)-but-2-enedioic acid;methyl 2-methylprop-2-enoate;styrene
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dipotassium;dimethyl 2-methylidenebutanedioate;hydride
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CID 4688794
azane;methyl prop-2-enoate;styrene
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(E)-2-methylbut-2-enamide;methyl 2-methylprop-2-enoate;styrene
CID 23364974
methyl 2-methylprop-2-enoate;pyrrole-2,5-dione;styrene
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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-methylidenebutanedioate;styrene?
The IUPAC name of dimethyl 2-methylidenebutanedioate;styrene (CID 22357357) is dimethyl 2-methylidenebutanedioate;styrene.
What is the SMILES notation for dimethyl 2-methylidenebutanedioate;styrene?
The canonical SMILES for dimethyl 2-methylidenebutanedioate;styrene is C=C(CC(=O)OC)C(=O)OC.C=Cc1ccccc1.
What is the InChIKey of dimethyl 2-methylidenebutanedioate;styrene?
The InChIKey is DLUVGNMHNMKJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C7H10O4/c1-2-8-6-4-3-5-7-8;1-5(7(9)11-3)4-6(8)10-2/h2-7H,1H2;1,4H2,2-3H3.
What are the key properties of dimethyl 2-methylidenebutanedioate;styrene?
dimethyl 2-methylidenebutanedioate;styrene has a molecular weight of 262.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-methylidenebutanedioate;styrene is sourced from PubChem (CID 22357357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).