methyl (4E,7E)-deca-4,7-dienoate

C11H18O2 — CID 102118317

IUPACmethyl (4E,7E)-deca-4,7-dienoate
SMILESCC/C=C/C/C=C/CCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4+,8-7+
InChIKeyOISIKRURBFYFBJ-AOSYACOCSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds6

About methyl (4E,7E)-deca-4,7-dienoate

methyl (4E,7E)-deca-4,7-dienoate (PubChem CID 102118317) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is methyl (4E,7E)-deca-4,7-dienoate.

Molecular Properties

Compound Namemethyl (4E,7E)-deca-4,7-dienoate
PubChem CID102118317
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namemethyl (4E,7E)-deca-4,7-dienoate
SMILESCC/C=C/C/C=C/CCC(=O)OC
InChIInChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4+,8-7+
InChIKeyOISIKRURBFYFBJ-AOSYACOCSA-N
XLogP2.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl dodeca-6,9-dienoate
CID 123311078
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
dimethyl (E)-oct-4-enedioate
CID 15585051
methyl (4Z,7Z,10Z,13Z,16Z,19Z,22Z,25Z,28Z)-tetratriaconta-4,7,10,13,16,19,22,25,28-nonaenoate
CID 10255583
ethyl (4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
CID 53249755
methyl (4Z,7Z,10R,11E,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoate
CID 100975957
methyl (4Z,7Z,10S,11E,13Z,16Z,19Z)-10-hydroxydocosa-4,7,11,13,16,19-hexaenoate
CID 100975958
methyl (9E,12E)-octadeca-9,12-dienoate;methyl (9E,12E,15E)-octadeca-9,12,15-trienoate;methyl (E)-octadec-9-enoate
CID 159619579
methyl (Z)-oct-4-enoate
CID 5352774
methyl (4E)-octa-4,7-dienoate
CID 10986465

Frequently Asked Questions

What is the IUPAC name of methyl (4E,7E)-deca-4,7-dienoate?
The IUPAC name of methyl (4E,7E)-deca-4,7-dienoate (CID 102118317) is methyl (4E,7E)-deca-4,7-dienoate.
What is the SMILES notation for methyl (4E,7E)-deca-4,7-dienoate?
The canonical SMILES for methyl (4E,7E)-deca-4,7-dienoate is CC/C=C/C/C=C/CCC(=O)OC.
What is the InChIKey of methyl (4E,7E)-deca-4,7-dienoate?
The InChIKey is OISIKRURBFYFBJ-AOSYACOCSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h4-5,7-8H,3,6,9-10H2,1-2H3/b5-4+,8-7+.
What are the key properties of methyl (4E,7E)-deca-4,7-dienoate?
methyl (4E,7E)-deca-4,7-dienoate has a molecular weight of 182.26 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4E,7E)-deca-4,7-dienoate is sourced from PubChem (CID 102118317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).