ethyl 2-phenoxydecanoate

C18H28O3 — CID 101000092

IUPACethyl 2-phenoxydecanoate
SMILESCCCCCCCCC(Oc1ccccc1)C(=O)OCC
InChIInChI=1S/C18H28O3/c1-3-5-6-7-8-12-15-17(18(19)20-4-2)21-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKeyDDQJCZNTNACFGM-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.75
Rot. Bonds11

About ethyl 2-phenoxydecanoate

ethyl 2-phenoxydecanoate (PubChem CID 101000092) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is ethyl 2-phenoxydecanoate.

Molecular Properties

Compound Nameethyl 2-phenoxydecanoate
PubChem CID101000092
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Nameethyl 2-phenoxydecanoate
SMILESCCCCCCCCC(Oc1ccccc1)C(=O)OCC
InChIInChI=1S/C18H28O3/c1-3-5-6-7-8-12-15-17(18(19)20-4-2)21-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3
InChIKeyDDQJCZNTNACFGM-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
2-phenoxyhexadecanethioic S-acid
CID 142789333
potassium 2-phenoxyundecanoate
CID 70350230
sodium 2-phenoxyoctadecanoate
CID 141463853
1,3-dioxopropan-2-yl 2-phenoxydecanoate
CID 141224781
(2R)-2-phenoxyhexanoic acid
CID 71401043
ethyl 2-(3-nitrophenoxy)tetradecanoate
CID 14122414
diethyl 2-phenoxybutanedioate
CID 72766015
ethyl 2-[10-(1-ethoxy-1-oxohexan-2-yl)oxyanthracen-9-yl]oxyhexanoate
CID 156779096
2-phenoxyethyl 2-ethoxynonanoate
CID 174802894
2-phenoxypentaneperoxoic acid
CID 18459699
ethyl 4-(methanesulfonamido)-2-phenoxybutanoate
CID 57267762

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenoxydecanoate?
The IUPAC name of ethyl 2-phenoxydecanoate (CID 101000092) is ethyl 2-phenoxydecanoate.
What is the SMILES notation for ethyl 2-phenoxydecanoate?
The canonical SMILES for ethyl 2-phenoxydecanoate is CCCCCCCCC(Oc1ccccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-phenoxydecanoate?
The InChIKey is DDQJCZNTNACFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-5-6-7-8-12-15-17(18(19)20-4-2)21-16-13-10-9-11-14-16/h9-11,13-14,17H,3-8,12,15H2,1-2H3.
What are the key properties of ethyl 2-phenoxydecanoate?
ethyl 2-phenoxydecanoate has a molecular weight of 292.42 g/mol, XLogP of 4.75, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenoxydecanoate is sourced from PubChem (CID 101000092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).