methyl 2-methylidenehex-5-enoate

C8H12O2 — CID 12706152

IUPACmethyl 2-methylidenehex-5-enoate
SMILESC=CCCC(=C)C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-5-6-7(2)8(9)10-3/h4H,1-2,5-6H2,3H3
InChIKeyLVFRIHVJGWIYBR-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-methylidenehex-5-enoate

methyl 2-methylidenehex-5-enoate (PubChem CID 12706152) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is methyl 2-methylidenehex-5-enoate.

Molecular Properties

Compound Namemethyl 2-methylidenehex-5-enoate
PubChem CID12706152
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Namemethyl 2-methylidenehex-5-enoate
SMILESC=CCCC(=C)C(=O)OC
InChIInChI=1S/C8H12O2/c1-4-5-6-7(2)8(9)10-3/h4H,1-2,5-6H2,3H3
InChIKeyLVFRIHVJGWIYBR-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylidenehex-5-enoate
CID 10855685
(dimethylamino)methyl 2-methylidenehex-5-enoate;hydrochloride
CID 173004209
methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
CID 174878856
methyl 2-methylhepta-2,6-dienoate
CID 54478570
prop-2-enylsulfanyl 2-methylidenehex-5-enoate
CID 90200975
methyl 5-ethenoxy-2-methylidenepentanoate
CID 23505086
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
methyl 2-oxoundec-10-enoate
CID 163362437
2-methylidene-N-propan-2-ylhex-5-enamide
CID 14418381
methyl (E)-2-methylidene-6-phenylhex-5-enoate
CID 58412278
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylidenehex-5-enoate?
The IUPAC name of methyl 2-methylidenehex-5-enoate (CID 12706152) is methyl 2-methylidenehex-5-enoate.
What is the SMILES notation for methyl 2-methylidenehex-5-enoate?
The canonical SMILES for methyl 2-methylidenehex-5-enoate is C=CCCC(=C)C(=O)OC.
What is the InChIKey of methyl 2-methylidenehex-5-enoate?
The InChIKey is LVFRIHVJGWIYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-4-5-6-7(2)8(9)10-3/h4H,1-2,5-6H2,3H3.
What are the key properties of methyl 2-methylidenehex-5-enoate?
methyl 2-methylidenehex-5-enoate has a molecular weight of 140.18 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylidenehex-5-enoate is sourced from PubChem (CID 12706152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).