methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate

C10H16O4 — CID 134860140

IUPACmethyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate
SMILESC=C(CCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C10H16O4/c1-8(9(11)12-3)4-5-10(2)13-6-7-14-10/h1,4-7H2,2-3H3
InChIKeyVPVMFFKIMQJUCZ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.26
Rot. Bonds4

About methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate

methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate (PubChem CID 134860140) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate
PubChem CID134860140
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate
SMILESC=C(CCC1(C)OCCO1)C(=O)OC
InChIInChI=1S/C10H16O4/c1-8(9(11)12-3)4-5-10(2)13-6-7-14-10/h1,4-7H2,2-3H3
InChIKeyVPVMFFKIMQJUCZ-UHFFFAOYSA-N
XLogP1.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.26
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

Methyl 5-(2-methyl-1,3-dioxolan-2-YL)-2-methylenepentanoate
CID 4116413
ethyl 3-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 14932710
Ethyl 3-(5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propanoate
CID 72741386
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4-methyl-3-methylideneoxolan-2-one
CID 18716223
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate
CID 22403496
4-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 53988158
Methyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]prop-2-enoate
CID 54185365
4-(2-Oxo-1,3-dioxolan-4-yl)butyl 2-methylprop-2-enoate
CID 66627973
Prop-2-enoxymethyl 5-methoxy-2-methylidenehexanoate
CID 87095010
Ethyl 2-[[4-acetyloxy-2,2-diethyl-5-(formyloxymethyl)-1,3-dioxolan-4-yl]methyl]prop-2-enoate
CID 87942430
(4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-3-methylideneoxolan-2-one
CID 88981683
4-(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)-2-methylidenebutanoic acid
CID 90355809

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate?
The IUPAC name of methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate (CID 134860140) is methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate.
What is the SMILES notation for methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate?
The canonical SMILES for methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate is C=C(CCC1(C)OCCO1)C(=O)OC.
What is the InChIKey of methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate?
The InChIKey is VPVMFFKIMQJUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(9(11)12-3)4-5-10(2)13-6-7-14-10/h1,4-7H2,2-3H3.
What are the key properties of methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate?
methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate has a molecular weight of 200.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methyl-1,3-dioxolan-2-yl)-2-methylidenebutanoate is sourced from PubChem (CID 134860140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).