methyl (E)-3-methylnon-4-enoate

C11H20O2 — CID 14170346

IUPACmethyl (E)-3-methylnon-4-enoate
SMILESCCCC/C=C/C(C)CC(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10(2)9-11(12)13-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyYUJLFYJWRWEYNK-BQYQJAHWSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds6

About methyl (E)-3-methylnon-4-enoate

methyl (E)-3-methylnon-4-enoate (PubChem CID 14170346) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is methyl (E)-3-methylnon-4-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methylnon-4-enoate
PubChem CID14170346
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Namemethyl (E)-3-methylnon-4-enoate
SMILESCCCC/C=C/C(C)CC(=O)OC
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10(2)9-11(12)13-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+
InChIKeyYUJLFYJWRWEYNK-BQYQJAHWSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-3-methyl-5-tributylstannylpent-4-enoate
CID 139263828
(Z,3R)-3-methyldec-4-enoic acid
CID 162918439
(Z)-3-methyldec-4-enoic acid
CID 131751127
3-methyldec-4-enoic acid
CID 579940
methyl (E,3S)-3-hydroxydec-5-enoate
CID 642276
dimethyl 2-oct-1-enylbutanedioate
CID 57260825
methyl [(E)-oct-3-en-2-yl] carbonate
CID 14170336
methyl dec-5-enoate
CID 54534253
(E)-3-methylnon-4-ene
CID 13082837
butyl 3,7-dimethyloct-4-eneperoxoate
CID 57021385
methyl (E)-hexadec-11-enoate
CID 5364696
methyl (E)-3-hydroxydodec-5-enoate
CID 15089809

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methylnon-4-enoate?
The IUPAC name of methyl (E)-3-methylnon-4-enoate (CID 14170346) is methyl (E)-3-methylnon-4-enoate.
What is the SMILES notation for methyl (E)-3-methylnon-4-enoate?
The canonical SMILES for methyl (E)-3-methylnon-4-enoate is CCCC/C=C/C(C)CC(=O)OC.
What is the InChIKey of methyl (E)-3-methylnon-4-enoate?
The InChIKey is YUJLFYJWRWEYNK-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-10(2)9-11(12)13-3/h7-8,10H,4-6,9H2,1-3H3/b8-7+.
What are the key properties of methyl (E)-3-methylnon-4-enoate?
methyl (E)-3-methylnon-4-enoate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methylnon-4-enoate is sourced from PubChem (CID 14170346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).