2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate

C13H20O4 — CID 118177823

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(COC(=O)C(=C)C)CC1COC(C)(C)O1
InChIInChI=1S/C13H20O4/c1-9(2)12(14)15-7-10(3)6-11-8-16-13(4,5)17-11/h11H,1,3,6-8H2,2,4-5H3
InChIKeyFURHVTCENMXCLM-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.20
Rot. Bonds5

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate (PubChem CID 118177823) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate
PubChem CID118177823
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate
SMILESC=C(COC(=O)C(=C)C)CC1COC(C)(C)O1
InChIInChI=1S/C13H20O4/c1-9(2)12(14)15-7-10(3)6-11-8-16-13(4,5)17-11/h11H,1,3,6-8H2,2,4-5H3
InChIKeyFURHVTCENMXCLM-UHFFFAOYSA-N
XLogP2.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate (CID 118177823) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate is C=C(COC(=O)C(=C)C)CC1COC(C)(C)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is FURHVTCENMXCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-9(2)12(14)15-7-10(3)6-11-8-16-13(4,5)17-11/h11H,1,3,6-8H2,2,4-5H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 240.30 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 118177823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).