methyl 4-methyl-3-methylidenepent-4-enoate

C8H12O2 — CID 89146578

IUPACmethyl 4-methyl-3-methylidenepent-4-enoate
SMILESC=C(C)C(=C)CC(=O)OC
InChIInChI=1S/C8H12O2/c1-6(2)7(3)5-8(9)10-4/h1,3,5H2,2,4H3
InChIKeyTXWDPENMUKAPOY-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds3

About methyl 4-methyl-3-methylidenepent-4-enoate

methyl 4-methyl-3-methylidenepent-4-enoate (PubChem CID 89146578) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 4-methyl-3-methylidenepent-4-enoate.

Molecular Properties

Compound Namemethyl 4-methyl-3-methylidenepent-4-enoate
PubChem CID89146578
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 4-methyl-3-methylidenepent-4-enoate
SMILESC=C(C)C(=C)CC(=O)OC
InChIInChI=1S/C8H12O2/c1-6(2)7(3)5-8(9)10-4/h1,3,5H2,2,4H3
InChIKeyTXWDPENMUKAPOY-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-O-amino 4-O-methyl 2-methylidenebutanedioate
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1-O-methyl 3-O-(2-methylprop-2-enyl) propanedioate
CID 15370869
dimethyl propanedioate;methanesulfonic acid
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CID 172760784
methyl 2-methylprop-2-enoate;polane
CID 173074189
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
4-O-[[3-[[3-(ethoxymethoxy)-3-oxopropanoyl]oxymethoxy]-3-oxopropanoyl]oxymethyl] 1-O-[3-[[3-[(3-methoxy-3-oxopropanoyl)oxymethoxy]-3-oxopropanoyl]oxymethoxycarbonyl]but-3-enoyloxymethyl] 2-methylidenebutanedioate
CID 166033787
acetic acid;3-methoxy-3-oxopropanoic acid
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methanol;bis(methyl 3-oxobutanoate);titanium
CID 87237560

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-methylidenepent-4-enoate?
The IUPAC name of methyl 4-methyl-3-methylidenepent-4-enoate (CID 89146578) is methyl 4-methyl-3-methylidenepent-4-enoate.
What is the SMILES notation for methyl 4-methyl-3-methylidenepent-4-enoate?
The canonical SMILES for methyl 4-methyl-3-methylidenepent-4-enoate is C=C(C)C(=C)CC(=O)OC.
What is the InChIKey of methyl 4-methyl-3-methylidenepent-4-enoate?
The InChIKey is TXWDPENMUKAPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6(2)7(3)5-8(9)10-4/h1,3,5H2,2,4H3.
What are the key properties of methyl 4-methyl-3-methylidenepent-4-enoate?
methyl 4-methyl-3-methylidenepent-4-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-methylidenepent-4-enoate is sourced from PubChem (CID 89146578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).