1-ethoxyethyl 2-ethoxyprop-2-enoate

C9H16O4 — CID 23499661

IUPAC1-ethoxyethyl 2-ethoxyprop-2-enoate
SMILESC=C(OCC)C(=O)OC(C)OCC
InChIInChI=1S/C9H16O4/c1-5-11-7(3)9(10)13-8(4)12-6-2/h8H,3,5-6H2,1-2,4H3
InChIKeySUKGDXYLDIBCGV-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.46
Rot. Bonds6

About 1-ethoxyethyl 2-ethoxyprop-2-enoate

1-ethoxyethyl 2-ethoxyprop-2-enoate (PubChem CID 23499661) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-ethoxyethyl 2-ethoxyprop-2-enoate.

Molecular Properties

Compound Name1-ethoxyethyl 2-ethoxyprop-2-enoate
PubChem CID23499661
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-ethoxyethyl 2-ethoxyprop-2-enoate
SMILESC=C(OCC)C(=O)OC(C)OCC
InChIInChI=1S/C9H16O4/c1-5-11-7(3)9(10)13-8(4)12-6-2/h8H,3,5-6H2,1-2,4H3
InChIKeySUKGDXYLDIBCGV-UHFFFAOYSA-N
XLogP1.46
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyethyl 2,2-bis(sulfanyl)acetate
CID 22183059
[3-(1-ethoxyethoxy)-3-oxoprop-1-en-2-yl] 2-[tri(cyclodecyl)methyl]prop-2-enoate
CID 67611387
2-[1-[1-[1-[1-(1-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-2-enoic acid
CID 175565416
1-(1-ethoxyethoxy)ethyl carbamate
CID 175609517
carbonic acid;1,1-diethoxyethane
CID 87827362
ethyl 2-(2-bromopropoxy)prop-2-enoate
CID 57254439
2-ethoxyethyl 2-ethoxyprop-2-enoate
CID 57101637
bis(1-ethoxyethyl) decanedioate
CID 87368848
1-(1-ethoxyethoxy)ethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 134229847
1-ethoxyethyl 2-cyano-2-(2,6-dimethylpyran-4-ylidene)acetate
CID 89339445
1-ethoxyethyl 6-methyl-5-oxohept-6-enoate
CID 23553998
1-(2-methylpropoxy)ethyl 2-hydroxyprop-2-enoate
CID 139758842

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2-ethoxyprop-2-enoate?
The IUPAC name of 1-ethoxyethyl 2-ethoxyprop-2-enoate (CID 23499661) is 1-ethoxyethyl 2-ethoxyprop-2-enoate.
What is the SMILES notation for 1-ethoxyethyl 2-ethoxyprop-2-enoate?
The canonical SMILES for 1-ethoxyethyl 2-ethoxyprop-2-enoate is C=C(OCC)C(=O)OC(C)OCC.
What is the InChIKey of 1-ethoxyethyl 2-ethoxyprop-2-enoate?
The InChIKey is SUKGDXYLDIBCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-5-11-7(3)9(10)13-8(4)12-6-2/h8H,3,5-6H2,1-2,4H3.
What are the key properties of 1-ethoxyethyl 2-ethoxyprop-2-enoate?
1-ethoxyethyl 2-ethoxyprop-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2-ethoxyprop-2-enoate is sourced from PubChem (CID 23499661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).