6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate

C23H32O6 — CID 122605836

IUPAC6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCCC(=O)OCCCCCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H32O6/c1-18(2)23(26)29-17-9-6-10-22(25)28-16-8-5-4-7-15-27-21-13-11-20(12-14-21)19(3)24/h11-14H,1,4-10,15-17H2,2-3H3
InChIKeyXHYJMVUVEGFYFJ-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.66
Rot. Bonds15

About 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate

6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate (PubChem CID 122605836) has the molecular formula C23H32O6 and a molecular weight of 404.50 g/mol. Its IUPAC name is 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate.

Molecular Properties

Compound Name6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate
PubChem CID122605836
Molecular FormulaC23H32O6
Molecular Weight404.50 g/mol
Exact Mass404.22
IUPAC Name6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate
SMILESC=C(C)C(=O)OCCCCC(=O)OCCCCCCOc1ccc(C(C)=O)cc1
InChIInChI=1S/C23H32O6/c1-18(2)23(26)29-17-9-6-10-22(25)28-16-8-5-4-7-15-27-21-13-11-20(12-14-21)19(3)24/h11-14H,1,4-10,15-17H2,2-3H3
InChIKeyXHYJMVUVEGFYFJ-UHFFFAOYSA-N
XLogP4.66
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
[4-[4-[8-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]octoxy]benzoyl]oxyphenyl] 4-hexoxybenzoate
CID 58019596
ethane;4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid
CID 145290925
[4-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]phenyl] 4-butoxybenzoate
CID 101260763
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
CID 118286214
methyl 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate
CID 58785408
[4-[4-[6-(2-methylprop-2-enoyloxy)hexanoyloxy]phenoxy]phenyl] 6-(2-methylprop-2-enoyloxy)hexanoate
CID 59739191
(4-butoxyphenyl) 4-[12-(2-methylprop-2-enoyloxy)dodecoxy]benzoate
CID 122403245
[4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenoxy]phenyl] 4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoate
CID 142733207
4-[4-[2-[4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]ethynyl]phenoxy]butyl 2-methylprop-2-enoate
CID 58987347
2-(2-methylprop-2-enoyloxy)ethyl 6-(4-chlorobutanoyloxy)hexanoate
CID 102447588
6-butanoyloxyhexyl 4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]benzoate
CID 58019659

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The IUPAC name of 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate (CID 122605836) is 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate.
What is the SMILES notation for 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The canonical SMILES for 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate is C=C(C)C(=O)OCCCCC(=O)OCCCCCCOc1ccc(C(C)=O)cc1.
What is the InChIKey of 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate?
The InChIKey is XHYJMVUVEGFYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O6/c1-18(2)23(26)29-17-9-6-10-22(25)28-16-8-5-4-7-15-27-21-13-11-20(12-14-21)19(3)24/h11-14H,1,4-10,15-17H2,2-3H3.
What are the key properties of 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate?
6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate has a molecular weight of 404.50 g/mol, XLogP of 4.66, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetylphenoxy)hexyl 5-(2-methylprop-2-enoyloxy)pentanoate is sourced from PubChem (CID 122605836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).