methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate

C13H22O4 — CID 156632895

IUPACmethyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCOC(=O)C(C)=CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C13H22O4/c1-9(2)7-13(4)16-8-11(17-13)6-10(3)12(14)15-5/h6,9,11H,7-8H2,1-5H3
InChIKeyDXRAGDMPOGQUDY-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.28
Rot. Bonds4

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

methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate (PubChem CID 156632895) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate
PubChem CID156632895
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate
SMILESCOC(=O)C(C)=CC1COC(C)(CC(C)C)O1
InChIInChI=1S/C13H22O4/c1-9(2)7-13(4)16-8-11(17-13)6-10(3)12(14)15-5/h6,9,11H,7-8H2,1-5H3
InChIKeyDXRAGDMPOGQUDY-UHFFFAOYSA-N
XLogP2.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate with MolForge

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Related Compounds

(S,E)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 6364657
Ethyl (R)-(-)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-trans-2-propenoate
CID 7269394
(S,Z)-Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 11367648
ethyl (E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enoate
CID 11458548
Ethyl (S)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 2724857
(S,E)-ethyl 3-(2,2-diMethyl-1,3-dioxolan-4-yl)-2-Methylacrylate
CID 11095961
tert-butyl (E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate
CID 11107107
1,1-Dimethylethyl (2E)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-propenoate
CID 14433549
2-Oxo-1,3-dioxolane-4-yl methyl methacrylate
CID 88413975
Ethyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)acrylate
CID 5363635
Ethyl (R)-cis-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propenoate
CID 11052628
Repbgwqgpxxiej-fnorwqnlsa-
CID 50936969

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate?
The IUPAC name of methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate (CID 156632895) is methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate.
What is the SMILES notation for methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate?
The canonical SMILES for methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate is COC(=O)C(C)=CC1COC(C)(CC(C)C)O1.
What is the InChIKey of methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate?
The InChIKey is DXRAGDMPOGQUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4/c1-9(2)7-13(4)16-8-11(17-13)6-10(3)12(14)15-5/h6,9,11H,7-8H2,1-5H3.
What are the key properties of methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate?
methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate has a molecular weight of 242.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]prop-2-enoate is sourced from PubChem (CID 156632895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).