methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate

C10H16O4 — CID 15397040

IUPACmethyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate
SMILESC=CCC(OC(C=C)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-7-8(10(11)13-4)14-9(6-2)12-3/h5-6,8-9H,1-2,7H2,3-4H3
InChIKeyGZLKZRJYRKURQM-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.28
Rot. Bonds7

About methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate

methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate (PubChem CID 15397040) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate
PubChem CID15397040
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate
SMILESC=CCC(OC(C=C)OC)C(=O)OC
InChIInChI=1S/C10H16O4/c1-5-7-8(10(11)13-4)14-9(6-2)12-3/h5-6,8-9H,1-2,7H2,3-4H3
InChIKeyGZLKZRJYRKURQM-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.28
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Vlysfroiivaenj-rnfrbkrxsa-
CID 13846565
ethyl (2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 11735582
Ethyl 6-ethoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 557312
2H-Pyran-2-carboxylic acid, 3,6-dihydro-6-methoxy-, methyl ester
CID 557266
Ethyl 6-butoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 593200
methyl (2S,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 10866788
(3R,5S,6S)-5,6-dimethoxy-5,6-dimethyl-3-prop-2-enyl-1,4-dioxan-2-one
CID 11424723
Ethyl 2-methoxy-6-methyl-2,5-dihydropyran-6-carboxylate
CID 12266257
Methyl 2-ethoxycarbonyloxybut-3-enoate
CID 13433952
ethyl (2S,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-carboxylate
CID 92860719
methyl (4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 134860171
ethyl (E,2R)-2-ethoxycarbonyloxyhept-3-enoate
CID 134897014

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate?
The IUPAC name of methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate (CID 15397040) is methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate.
What is the SMILES notation for methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate?
The canonical SMILES for methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate is C=CCC(OC(C=C)OC)C(=O)OC.
What is the InChIKey of methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate?
The InChIKey is GZLKZRJYRKURQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-5-7-8(10(11)13-4)14-9(6-2)12-3/h5-6,8-9H,1-2,7H2,3-4H3.
What are the key properties of methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate?
methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxyprop-2-enoxy)pent-4-enoate is sourced from PubChem (CID 15397040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).