2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)

C17H32O4 — CID 173476509

IUPAC2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCCOC(=O)CCC(C)=O
InChIInChI=1S/C8H14O4.3C3H6/c1-7(9)3-4-8(10)12-6-5-11-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3
InChIKeyKGZYQSCCQUCCHQ-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.12
Rot. Bonds6

About 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)

2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene) (PubChem CID 173476509) has the molecular formula C17H32O4 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene).

Molecular Properties

Compound Name2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
PubChem CID173476509
Molecular FormulaC17H32O4
Molecular Weight300.44 g/mol
Exact Mass300.23
IUPAC Name2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)
SMILESC=CC.C=CC.C=CC.COCCOC(=O)CCC(C)=O
InChIInChI=1S/C8H14O4.3C3H6/c1-7(9)3-4-8(10)12-6-5-11-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3
InChIKeyKGZYQSCCQUCCHQ-UHFFFAOYSA-N
XLogP4.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
6-methoxyhexyl 4-oxopentanoate
CID 89458517
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
2-ethoxyethyl 4-oxopentanoate
CID 22556205
ethyl 3-ethoxypropanoate;2-methoxyethyl acetate;prop-1-ene
CID 87946884
1,2-dimethoxyethane;tris(prop-1-ene)
CID 159658676
1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
CID 158036781
2-(2,2-dimethylpropanoyloxy)ethyl 4-oxopentanoate
CID 122591225
4-methoxybutyl 5-oxohexanoate
CID 162425985
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 3-aminopropanoate
CID 169082303

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)?
The IUPAC name of 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene) (CID 173476509) is 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene).
What is the SMILES notation for 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)?
The canonical SMILES for 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene) is C=CC.C=CC.C=CC.COCCOC(=O)CCC(C)=O.
What is the InChIKey of 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)?
The InChIKey is KGZYQSCCQUCCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4.3C3H6/c1-7(9)3-4-8(10)12-6-5-11-2;3*1-3-2/h3-6H2,1-2H3;3*3H,1H2,2H3.
What are the key properties of 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene)?
2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene) has a molecular weight of 300.44 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-oxopentanoate;tris(prop-1-ene) is sourced from PubChem (CID 173476509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).