ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate

C14H26O4 — CID 5364264

IUPACethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate
SMILESCCC/C(=C\C(=O)OCC)C(CCC)OCOC
InChIInChI=1S/C14H26O4/c1-5-8-12(10-14(15)17-7-3)13(9-6-2)18-11-16-4/h10,13H,5-9,11H2,1-4H3/b12-10+
InChIKeyLQSIVAPCZIJPKU-ZRDIBKRKSA-N
MW258.36 g/mol
LogP3.07
Rot. Bonds10

About ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate

ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate (PubChem CID 5364264) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate
PubChem CID5364264
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nameethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate
SMILESCCC/C(=C\C(=O)OCC)C(CCC)OCOC
InChIInChI=1S/C14H26O4/c1-5-8-12(10-14(15)17-7-3)13(9-6-2)18-11-16-4/h10,13H,5-9,11H2,1-4H3/b12-10+
InChIKeyLQSIVAPCZIJPKU-ZRDIBKRKSA-N
XLogP3.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 (E)-3-hydroxyhex-2-enoate
CID 54707030
ethyl (Z,5R)-3-amino-5-methyloct-2-enoate
CID 56839612
ethyl 3,4-dimethylhept-2-enoate
CID 123957528
ethyl (Z)-3-(1-hydroxybutyl)tridec-2-enoate
CID 10086902
ethyl 3-(1-hydroxybutyl)tridec-2-enoate
CID 10348526
ethyl (E)-3-aminohex-2-enoate
CID 10986503
ethyl 3-hydroxy-4-methylpent-2-enoate
CID 71406966
ethyl (E,4R)-4-(methoxymethoxy)non-2-enoate
CID 14737920
ethyl (Z,4R,5R)-3-(methoxyamino)-4,5-dimethyloct-2-enoate
CID 86597973
ethyl 3,11-dihydroxytetradec-2-enoate
CID 146242224
ethyl (Z)-3-acetamido-4,5-dimethyloct-2-enoate
CID 87936846
ethyl (Z)-3-carbamoylhex-2-enoate
CID 139808766

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate?
The IUPAC name of ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate (CID 5364264) is ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate.
What is the SMILES notation for ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate?
The canonical SMILES for ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate is CCC/C(=C\C(=O)OCC)C(CCC)OCOC.
What is the InChIKey of ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate?
The InChIKey is LQSIVAPCZIJPKU-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H26O4/c1-5-8-12(10-14(15)17-7-3)13(9-6-2)18-11-16-4/h10,13H,5-9,11H2,1-4H3/b12-10+.
What are the key properties of ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate?
ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate has a molecular weight of 258.36 g/mol, XLogP of 3.07, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(methoxymethoxy)-3-propylhept-2-enoate is sourced from PubChem (CID 5364264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).