ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate

C13H24O4 — CID 14737920

IUPACethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
SMILESCCCCC[C@H](/C=C/C(=O)OCC)OCOC
InChIInChI=1S/C13H24O4/c1-4-6-7-8-12(17-11-15-3)9-10-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1
InChIKeyJXTXONAZCHZQSN-BZYZDCJZSA-N
MW244.33 g/mol
LogP2.68
Rot. Bonds10

About ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate

ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate (PubChem CID 14737920) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
PubChem CID14737920
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Nameethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
SMILESCCCCC[C@H](/C=C/C(=O)OCC)OCOC
InChIInChI=1S/C13H24O4/c1-4-6-7-8-12(17-11-15-3)9-10-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1
InChIKeyJXTXONAZCHZQSN-BZYZDCJZSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(trioxidanyl)dec-2-enoate
CID 150095448
ethyl (E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123856196
ethyl (4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enoate
CID 123555180
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
methyl (E,4S,7S)-7-hydroxy-4-(methoxymethoxy)oct-2-enoate
CID 42643087
1-O-ethyl 4-O-octan-2-yl (E)-but-2-enedioate
CID 91713024
ethyl 14-hydroxydocosa-2,4,6,8,10,12-hexaenoate
CID 73432297
ethyl (4S)-4-(methoxymethoxy)octadecanoate
CID 71567301
ethyl (E,4R)-4-hydroperoxyhex-2-enoate
CID 101260352
3-(methoxymethoxy)oct-1-ene;oct-1-en-3-ol
CID 161465176
ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
ethyl (Z)-5-(3-methoxypropoxy)-4-methyl-6-oxohex-2-enoate
CID 154013536

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate?
The IUPAC name of ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate (CID 14737920) is ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate is CCCCC[C@H](/C=C/C(=O)OCC)OCOC.
What is the InChIKey of ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate?
The InChIKey is JXTXONAZCHZQSN-BZYZDCJZSA-N. The full InChI is InChI=1S/C13H24O4/c1-4-6-7-8-12(17-11-15-3)9-10-13(14)16-5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+/t12-/m1/s1.
What are the key properties of ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate?
ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate has a molecular weight of 244.33 g/mol, XLogP of 2.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate is sourced from PubChem (CID 14737920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).