ethyl 2-(1-methoxydecoxy)propanoate

C16H32O4 — CID 19915563

IUPACethyl 2-(1-methoxydecoxy)propanoate
SMILESCCCCCCCCCC(OC)OC(C)C(=O)OCC
InChIInChI=1S/C16H32O4/c1-5-7-8-9-10-11-12-13-15(18-4)20-14(3)16(17)19-6-2/h14-15H,5-13H2,1-4H3
InChIKeyMYSNUYYYAZHWOK-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.07
Rot. Bonds13

About ethyl 2-(1-methoxydecoxy)propanoate

ethyl 2-(1-methoxydecoxy)propanoate (PubChem CID 19915563) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethyl 2-(1-methoxydecoxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(1-methoxydecoxy)propanoate
PubChem CID19915563
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Nameethyl 2-(1-methoxydecoxy)propanoate
SMILESCCCCCCCCCC(OC)OC(C)C(=O)OCC
InChIInChI=1S/C16H32O4/c1-5-7-8-9-10-11-12-13-15(18-4)20-14(3)16(17)19-6-2/h14-15H,5-13H2,1-4H3
InChIKeyMYSNUYYYAZHWOK-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1-dimethoxytetradecane
CID 13265409
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
ethyl 2-nonoxypropanoate
CID 88680880
ethyl (2S)-2-hydroxytetracosanoate
CID 98049873
acetic acid;ethyl 2-methyldecanoate
CID 175237590
methyl 2-propan-2-yltetradecanoate
CID 118450856
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015
methyl (2R)-2-methyltetradecanoate
CID 163045577
ethyl 2-ethyldocosanoate
CID 175304380
methyl (2R)-2-methylnonanoate
CID 12525305

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methoxydecoxy)propanoate?
The IUPAC name of ethyl 2-(1-methoxydecoxy)propanoate (CID 19915563) is ethyl 2-(1-methoxydecoxy)propanoate.
What is the SMILES notation for ethyl 2-(1-methoxydecoxy)propanoate?
The canonical SMILES for ethyl 2-(1-methoxydecoxy)propanoate is CCCCCCCCCC(OC)OC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(1-methoxydecoxy)propanoate?
The InChIKey is MYSNUYYYAZHWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-5-7-8-9-10-11-12-13-15(18-4)20-14(3)16(17)19-6-2/h14-15H,5-13H2,1-4H3.
What are the key properties of ethyl 2-(1-methoxydecoxy)propanoate?
ethyl 2-(1-methoxydecoxy)propanoate has a molecular weight of 288.43 g/mol, XLogP of 4.07, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methoxydecoxy)propanoate is sourced from PubChem (CID 19915563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).