2-methylidenehex-4-enyl 2-methylprop-2-enoate

C11H16O2 — CID 57198938

IUPAC2-methylidenehex-4-enyl 2-methylprop-2-enoate
SMILESC=C(CC=CC)COC(=O)C(=C)C
InChIInChI=1S/C11H16O2/c1-5-6-7-10(4)8-13-11(12)9(2)3/h5-6H,2,4,7-8H2,1,3H3
InChIKeyXQUYCFWILJPTNU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.63
Rot. Bonds5

About 2-methylidenehex-4-enyl 2-methylprop-2-enoate

2-methylidenehex-4-enyl 2-methylprop-2-enoate (PubChem CID 57198938) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methylidenehex-4-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-methylidenehex-4-enyl 2-methylprop-2-enoate
PubChem CID57198938
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-methylidenehex-4-enyl 2-methylprop-2-enoate
SMILESC=C(CC=CC)COC(=O)C(=C)C
InChIInChI=1S/C11H16O2/c1-5-6-7-10(4)8-13-11(12)9(2)3/h5-6H,2,4,7-8H2,1,3H3
InChIKeyXQUYCFWILJPTNU-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-2-oxoethyl] 2-methylprop-2-enoate
CID 87168536
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
(3-bromo-2-methylprop-2-enyl) 2-methylprop-2-enoate
CID 139950789
1-(2-methylprop-2-enoyloxy)but-2-en-2-ylphosphonic acid
CID 123575753
[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 58663419
(2-methoxy-2-oxoethyl) 2-methylprop-2-enoate
CID 22289237
ethene;[2-[2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethoxy]-2-oxoethyl] 2-methylprop-2-enoate
CID 173091400
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
ethyl 2-methylprop-2-enoate
CID 130475774
(E)-2-methylidenehex-4-en-1-ol
CID 15564150

Frequently Asked Questions

What is the IUPAC name of 2-methylidenehex-4-enyl 2-methylprop-2-enoate?
The IUPAC name of 2-methylidenehex-4-enyl 2-methylprop-2-enoate (CID 57198938) is 2-methylidenehex-4-enyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-methylidenehex-4-enyl 2-methylprop-2-enoate?
The canonical SMILES for 2-methylidenehex-4-enyl 2-methylprop-2-enoate is C=C(CC=CC)COC(=O)C(=C)C.
What is the InChIKey of 2-methylidenehex-4-enyl 2-methylprop-2-enoate?
The InChIKey is XQUYCFWILJPTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-6-7-10(4)8-13-11(12)9(2)3/h5-6H,2,4,7-8H2,1,3H3.
What are the key properties of 2-methylidenehex-4-enyl 2-methylprop-2-enoate?
2-methylidenehex-4-enyl 2-methylprop-2-enoate has a molecular weight of 180.25 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenehex-4-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 57198938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).