1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate

C27H54O6 — CID 158036781

IUPAC1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
SMILESCCCCCCCCCCCCCCOC.CCCOCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C15H32O.C12H22O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-3-6-15-7-8-16-9-10-17-12(14)5-4-11(2)13/h3-15H2,1-2H3;3-10H2,1-2H3
InChIKeyFHVPNSHEACWAQT-UHFFFAOYSA-N
MW474.72 g/mol
LogP6.68
Rot. Bonds24

About 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate

1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate (PubChem CID 158036781) has the molecular formula C27H54O6 and a molecular weight of 474.72 g/mol. Its IUPAC name is 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate.

Molecular Properties

Compound Name1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
PubChem CID158036781
Molecular FormulaC27H54O6
Molecular Weight474.72 g/mol
Exact Mass474.39
IUPAC Name1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate
SMILESCCCCCCCCCCCCCCOC.CCCOCCOCCOC(=O)CCC(C)=O
InChIInChI=1S/C15H32O.C12H22O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-3-6-15-7-8-16-9-10-17-12(14)5-4-11(2)13/h3-15H2,1-2H3;3-10H2,1-2H3
InChIKeyFHVPNSHEACWAQT-UHFFFAOYSA-N
XLogP6.68
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.72
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethoxy)ethyl dodecanoate
CID 10990309
4-O-(2-methoxyethyl) 1-O-tetradecyl butanedioate
CID 91694095
6-methoxyhexyl 4-oxopentanoate
CID 89458517
methane;4-methoxybutyl 4-oxopentanoate;2-methoxyethyl 4-oxopentanoate
CID 158841487
hexadecyl 4-(2-methoxyethoxy)butanoate
CID 121469419
octyl 4-(2-methoxyethoxy)butanoate
CID 121469621
2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 90396446
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
10-O-(2-methoxyethyl) 1-O-octadecyl decanedioate
CID 91738078
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
heptyl 6-methoxyhexanoate
CID 134561585
2-pentoxyethyl hexadecanoate
CID 139604749

Frequently Asked Questions

What is the IUPAC name of 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate?
The IUPAC name of 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate (CID 158036781) is 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate.
What is the SMILES notation for 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate?
The canonical SMILES for 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate is CCCCCCCCCCCCCCOC.CCCOCCOCCOC(=O)CCC(C)=O.
What is the InChIKey of 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate?
The InChIKey is FHVPNSHEACWAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O.C12H22O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-2;1-3-6-15-7-8-16-9-10-17-12(14)5-4-11(2)13/h3-15H2,1-2H3;3-10H2,1-2H3.
What are the key properties of 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate?
1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate has a molecular weight of 474.72 g/mol, XLogP of 6.68, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxytetradecane;2-(2-propoxyethoxy)ethyl 4-oxopentanoate is sourced from PubChem (CID 158036781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).