6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate

C17H24O4 — CID 90308739

IUPAC6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccccc1OC
InChIInChI=1S/C17H24O4/c1-14(2)17(18)21-13-9-5-4-8-12-20-16-11-7-6-10-15(16)19-3/h6-7,10-11H,1,4-5,8-9,12-13H2,2-3H3
InChIKeyNACCGTNPKMPVOP-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.75
Rot. Bonds10

About 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate

6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate (PubChem CID 90308739) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
PubChem CID90308739
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Name6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCCOc1ccccc1OC
InChIInChI=1S/C17H24O4/c1-14(2)17(18)21-13-9-5-4-8-12-20-16-11-7-6-10-15(16)19-3/h6-7,10-11H,1,4-5,8-9,12-13H2,2-3H3
InChIKeyNACCGTNPKMPVOP-UHFFFAOYSA-N
XLogP3.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-[12-(2-methoxyphenoxy)dodecoxy]benzene
CID 134880850
3-[2-(2-methylprop-2-enoyloxymethyl)phenoxy]propyl 2-methylprop-2-enoate
CID 118333825
3-(2-methylprop-2-enoyloxy)propyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333815
4-[4-(2-phenylphenoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139671734
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
4-[4-(4-phenoxybutoxy)butoxy]butyl 2-methylprop-2-enoate
CID 139664490
6-[4-[(Z)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]-2-methoxyphenoxy]hexyl 2-methylprop-2-enoate
CID 69129946
8-naphthalen-2-yloxyoctyl 2-methylprop-2-enoate
CID 67166599
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-[3-(2-methylprop-2-enoyloxy)propoxy]benzoate
CID 118333772
7-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]oxyheptyl 2-methylprop-2-enoate
CID 69118218
4-phenylbutyl 2-methylprop-2-enoate
CID 22507477

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate?
The IUPAC name of 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate (CID 90308739) is 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate?
The canonical SMILES for 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCCOc1ccccc1OC.
What is the InChIKey of 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate?
The InChIKey is NACCGTNPKMPVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-14(2)17(18)21-13-9-5-4-8-12-20-16-11-7-6-10-15(16)19-3/h6-7,10-11H,1,4-5,8-9,12-13H2,2-3H3.
What are the key properties of 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate?
6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate has a molecular weight of 292.38 g/mol, XLogP of 3.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenoxy)hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 90308739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).