methyl 2-ethenylideneheptanoate

C10H16O2 — CID 12705492

IUPACmethyl 2-ethenylideneheptanoate
SMILESC=C=C(CCCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-7-8-9(5-2)10(11)12-3/h2,4,6-8H2,1,3H3
InChIKeyXUZYWLFLBJPBHR-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.45
Rot. Bonds5

About methyl 2-ethenylideneheptanoate

methyl 2-ethenylideneheptanoate (PubChem CID 12705492) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-ethenylideneheptanoate.

Molecular Properties

Compound Namemethyl 2-ethenylideneheptanoate
PubChem CID12705492
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-ethenylideneheptanoate
SMILESC=C=C(CCCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-7-8-9(5-2)10(11)12-3/h2,4,6-8H2,1,3H3
InChIKeyXUZYWLFLBJPBHR-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexanoic acid, 2-methylene-, ethyl ester
CID 3014221
Methyl 2-methylidenehexanoate
CID 330536
9-(Methoxycarbonyl)-9-decenoic acid
CID 23757109
Methyl 2-prop-1-en-1-ylidenehexanoate
CID 642286
Ethyl 2-methylideneoctanoate
CID 12456491
Methyl 2-methylidenedecanoate
CID 12555036
Ethyl 2-methylenetridecanoate
CID 13661680
Ethyl 6-methylhept-6-enoate
CID 15531704
ethyl (2E)-2-(fluoromethylidene)decanoate
CID 177852420
Methyl 5-methylidenenonanoate
CID 102395454
Ethyl 2-methylidenenonanoate
CID 10703126
Methyl 10-methylundec-10-enoate
CID 11218121

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenylideneheptanoate?
The IUPAC name of methyl 2-ethenylideneheptanoate (CID 12705492) is methyl 2-ethenylideneheptanoate.
What is the SMILES notation for methyl 2-ethenylideneheptanoate?
The canonical SMILES for methyl 2-ethenylideneheptanoate is C=C=C(CCCCC)C(=O)OC.
What is the InChIKey of methyl 2-ethenylideneheptanoate?
The InChIKey is XUZYWLFLBJPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-7-8-9(5-2)10(11)12-3/h2,4,6-8H2,1,3H3.
What are the key properties of methyl 2-ethenylideneheptanoate?
methyl 2-ethenylideneheptanoate has a molecular weight of 168.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenylideneheptanoate is sourced from PubChem (CID 12705492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).