ethyl 3,5,5-triethoxypent-3-enoate

C13H24O5 — CID 139916219

IUPACethyl 3,5,5-triethoxypent-3-enoate
SMILESCCOC(=O)CC(=CC(OCC)OCC)OCC
InChIInChI=1S/C13H24O5/c1-5-15-11(9-12(14)16-6-2)10-13(17-7-3)18-8-4/h10,13H,5-9H2,1-4H3
InChIKeyUNDIVCUKJMMEAF-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.26
Rot. Bonds10

About ethyl 3,5,5-triethoxypent-3-enoate

ethyl 3,5,5-triethoxypent-3-enoate (PubChem CID 139916219) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 3,5,5-triethoxypent-3-enoate.

Molecular Properties

Compound Nameethyl 3,5,5-triethoxypent-3-enoate
PubChem CID139916219
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Nameethyl 3,5,5-triethoxypent-3-enoate
SMILESCCOC(=O)CC(=CC(OCC)OCC)OCC
InChIInChI=1S/C13H24O5/c1-5-15-11(9-12(14)16-6-2)10-13(17-7-3)18-8-4/h10,13H,5-9H2,1-4H3
InChIKeyUNDIVCUKJMMEAF-UHFFFAOYSA-N
XLogP2.26
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

diethyl (Z)-3-ethoxypent-2-enedioate
CID 6371549
Methyl 3-(5-methoxy-2,5-dihydro-2-furylidene)propionate
CID 23266343
[(E)-4,5,5-triethoxypent-3-enyl] acetate
CID 44604901
3-O-[(E)-5-ethoxycarbonyloxy-4-methylpent-3-enyl] 1-O-methyl propanedioate
CID 56850773
Methyl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate
CID 9964375
6-isopropoxycarbonylmethyl-2,2-dimethyl-4H-1,3-dioxin-4-one
CID 12040393
Ethyl 2-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)acetate
CID 12040395
ethyl (Z)-3,5,5-triethoxypent-2-enoate
CID 13036395
3-[[(2R)-3,5-diacetyloxy-6-(acetyloxymethyl)-3,6-dihydro-2H-pyran-2-yl]oxy]propanoic acid
CID 68390007
(2,3,5-triacetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
CID 71106833
3,5,5-Triethoxy-pent-2-enoic acid ethyl ester
CID 73164876
methyl 2-methyl-4H-cyclopenta[d][1,3]dioxole-4-carboxylate
CID 140967907

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5,5-triethoxypent-3-enoate?
The IUPAC name of ethyl 3,5,5-triethoxypent-3-enoate (CID 139916219) is ethyl 3,5,5-triethoxypent-3-enoate.
What is the SMILES notation for ethyl 3,5,5-triethoxypent-3-enoate?
The canonical SMILES for ethyl 3,5,5-triethoxypent-3-enoate is CCOC(=O)CC(=CC(OCC)OCC)OCC.
What is the InChIKey of ethyl 3,5,5-triethoxypent-3-enoate?
The InChIKey is UNDIVCUKJMMEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-5-15-11(9-12(14)16-6-2)10-13(17-7-3)18-8-4/h10,13H,5-9H2,1-4H3.
What are the key properties of ethyl 3,5,5-triethoxypent-3-enoate?
ethyl 3,5,5-triethoxypent-3-enoate has a molecular weight of 260.33 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5,5-triethoxypent-3-enoate is sourced from PubChem (CID 139916219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).