ethyl 6-(2-prop-1-enylphenoxy)hexanoate

C17H24O3 — CID 77024450

IUPACethyl 6-(2-prop-1-enylphenoxy)hexanoate
SMILESCC=Cc1ccccc1OCCCCCC(=O)OCC
InChIInChI=1S/C17H24O3/c1-3-10-15-11-7-8-12-16(15)20-14-9-5-6-13-17(18)19-4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3
InChIKeyUSKZZXMJBQQOPJ-UHFFFAOYSA-N
MW276.38 g/mol
LogP4.22
Rot. Bonds9

About ethyl 6-(2-prop-1-enylphenoxy)hexanoate

ethyl 6-(2-prop-1-enylphenoxy)hexanoate (PubChem CID 77024450) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 6-(2-prop-1-enylphenoxy)hexanoate.

Molecular Properties

Compound Nameethyl 6-(2-prop-1-enylphenoxy)hexanoate
PubChem CID77024450
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl 6-(2-prop-1-enylphenoxy)hexanoate
SMILESCC=Cc1ccccc1OCCCCCC(=O)OCC
InChIInChI=1S/C17H24O3/c1-3-10-15-11-7-8-12-16(15)20-14-9-5-6-13-17(18)19-4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3
InChIKeyUSKZZXMJBQQOPJ-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.22
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

5-(2-prop-1-enylphenoxy)pentanehydrazide
CID 77002054
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CID 170321461
1-(4-chlorobutoxy)-2-prop-1-enylbenzene
CID 76919134
ethyl (E)-3-(2-heptoxyphenyl)prop-2-enoate
CID 69051271
ethyl 19-anthracen-1-yloxynonadecanoate
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ethyl 15-anthracen-1-yloxypentadecanoate
CID 175607190
ethyl 6-(1-formylnaphthalen-2-yl)oxyhexanoate
CID 86662491
ethyl 4-(2-bromophenoxy)butanoate
CID 15070114
2-(4-ethoxy-4-oxobutoxy)benzoic acid
CID 139610129
ethyl 2-[2-(3-oxo-3-phenylprop-1-enyl)phenoxy]acetate
CID 141232127
2-chloro-6-(6-ethoxy-6-oxohexoxy)benzoic acid
CID 114320250

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-prop-1-enylphenoxy)hexanoate?
The IUPAC name of ethyl 6-(2-prop-1-enylphenoxy)hexanoate (CID 77024450) is ethyl 6-(2-prop-1-enylphenoxy)hexanoate.
What is the SMILES notation for ethyl 6-(2-prop-1-enylphenoxy)hexanoate?
The canonical SMILES for ethyl 6-(2-prop-1-enylphenoxy)hexanoate is CC=Cc1ccccc1OCCCCCC(=O)OCC.
What is the InChIKey of ethyl 6-(2-prop-1-enylphenoxy)hexanoate?
The InChIKey is USKZZXMJBQQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-10-15-11-7-8-12-16(15)20-14-9-5-6-13-17(18)19-4-2/h3,7-8,10-12H,4-6,9,13-14H2,1-2H3.
What are the key properties of ethyl 6-(2-prop-1-enylphenoxy)hexanoate?
ethyl 6-(2-prop-1-enylphenoxy)hexanoate has a molecular weight of 276.38 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-prop-1-enylphenoxy)hexanoate is sourced from PubChem (CID 77024450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).