methyl 7-methoxy-2-methylideneheptanoate

C10H18O3 — CID 20669689

IUPACmethyl 7-methoxy-2-methylideneheptanoate
SMILESC=C(CCCCCOC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-9(10(11)13-3)7-5-4-6-8-12-2/h1,4-8H2,2-3H3
InChIKeyULABGPOTXVXKRB-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds7

About methyl 7-methoxy-2-methylideneheptanoate

methyl 7-methoxy-2-methylideneheptanoate (PubChem CID 20669689) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 7-methoxy-2-methylideneheptanoate.

Molecular Properties

Compound Namemethyl 7-methoxy-2-methylideneheptanoate
PubChem CID20669689
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 7-methoxy-2-methylideneheptanoate
SMILESC=C(CCCCCOC)C(=O)OC
InChIInChI=1S/C10H18O3/c1-9(10(11)13-3)7-5-4-6-8-12-2/h1,4-8H2,2-3H3
InChIKeyULABGPOTXVXKRB-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 2-methylidene-6-phosphonooxyhexanoate
CID 58340254
methyl 5-ethenoxy-2-methylidenepentanoate
CID 23505086
methyl 8-methyl-2-methylidenenonanoate
CID 141066722
1-adamantyl 7-methoxy-2-methylideneheptanoate
CID 67174954
methyl (Z)-2-methylideneoctadec-9-enoate
CID 88735590
methyl 2-methylidene-4-methylperoxybutanoate
CID 59930840
methyl 6-hydroxy-2-methylidenehexanoate;prop-2-en-1-ol
CID 174878856
17-methoxyheptadecan-2-one
CID 59530855
methyl (9S,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383075
methyl (9R,10S)-9,10-dibromo-2-methylideneoctadecanoate
CID 129383073
heptyl 2-methylideneundecanoate
CID 176549260
octadecyl 2-methylideneicosanoate
CID 57219526

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-2-methylideneheptanoate?
The IUPAC name of methyl 7-methoxy-2-methylideneheptanoate (CID 20669689) is methyl 7-methoxy-2-methylideneheptanoate.
What is the SMILES notation for methyl 7-methoxy-2-methylideneheptanoate?
The canonical SMILES for methyl 7-methoxy-2-methylideneheptanoate is C=C(CCCCCOC)C(=O)OC.
What is the InChIKey of methyl 7-methoxy-2-methylideneheptanoate?
The InChIKey is ULABGPOTXVXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(10(11)13-3)7-5-4-6-8-12-2/h1,4-8H2,2-3H3.
What are the key properties of methyl 7-methoxy-2-methylideneheptanoate?
methyl 7-methoxy-2-methylideneheptanoate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-2-methylideneheptanoate is sourced from PubChem (CID 20669689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).