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

C12H20O4 — CID 19364552

IUPAC[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)(CC(C)C)O1
InChIInChI=1S/C12H20O4/c1-8(2)6-12(5)14-7-10(16-12)15-11(13)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyOFRPETZNBAKEBL-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.24
Rot. Bonds4

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

[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate (PubChem CID 19364552) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
PubChem CID19364552
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1COC(C)(CC(C)C)O1
InChIInChI=1S/C12H20O4/c1-8(2)6-12(5)14-7-10(16-12)15-11(13)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3
InChIKeyOFRPETZNBAKEBL-UHFFFAOYSA-N
XLogP2.24
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.24
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

2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
CID 22072724
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169750
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 58219208
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
(6-ethoxy-1,4,7-trioxonan-2-yl) 2-methylprop-2-enoate
CID 138705758
(2S,3R)-butane-1,2,3,4-tetrol;hydron;2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]-2-(2-methylpropyl)-1,3-dioxolane;4-methylpentan-2-one
CID 158542366
(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 67888562
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183676
[3,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-oxopropyl] 2-methylprop-2-enoate
CID 118177822

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate (CID 19364552) is [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1COC(C)(CC(C)C)O1.
What is the InChIKey of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate?
The InChIKey is OFRPETZNBAKEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-8(2)6-12(5)14-7-10(16-12)15-11(13)9(3)4/h8,10H,3,6-7H2,1-2,4-5H3.
What are the key properties of [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate?
[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate has a molecular weight of 228.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl] 2-methylprop-2-enoate is sourced from PubChem (CID 19364552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).