dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate

C15H22O4 — CID 10978399

IUPACdimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
SMILESC=C(C)CC(C/C=C/C1CC1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22O4/c1-11(2)10-15(13(16)18-3,14(17)19-4)9-5-6-12-7-8-12/h5-6,12H,1,7-10H2,2-4H3/b6-5+
InChIKeyVJJBSNZUDCEDGW-AATRIKPKSA-N
MW266.34 g/mol
LogP2.64
Rot. Bonds7

About dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate

dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate (PubChem CID 10978399) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate.

Molecular Properties

Compound Namedimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
PubChem CID10978399
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namedimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate
SMILESC=C(C)CC(C/C=C/C1CC1)(C(=O)OC)C(=O)OC
InChIInChI=1S/C15H22O4/c1-11(2)10-15(13(16)18-3,14(17)19-4)9-5-6-12-7-8-12/h5-6,12H,1,7-10H2,2-4H3/b6-5+
InChIKeyVJJBSNZUDCEDGW-AATRIKPKSA-N
XLogP2.64
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate?
The IUPAC name of dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate (CID 10978399) is dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate.
What is the SMILES notation for dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate?
The canonical SMILES for dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate is C=C(C)CC(C/C=C/C1CC1)(C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate?
The InChIKey is VJJBSNZUDCEDGW-AATRIKPKSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(2)10-15(13(16)18-3,14(17)19-4)9-5-6-12-7-8-12/h5-6,12H,1,7-10H2,2-4H3/b6-5+.
What are the key properties of dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate?
dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate has a molecular weight of 266.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[(E)-3-cyclopropylprop-2-enyl]-2-(2-methylprop-2-enyl)propanedioate is sourced from PubChem (CID 10978399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).