5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate

C30H38O6 — CID 118286214

IUPAC5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCOc1ccc(-c2ccc(OCCCCCOC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C30H38O6/c1-23(2)29(31)35-21-9-5-7-19-33-27-15-11-25(12-16-27)26-13-17-28(18-14-26)34-20-8-6-10-22-36-30(32)24(3)4/h11-18H,1,3,5-10,19-22H2,2,4H3
InChIKeyBWUMXFMRWSAPRG-UHFFFAOYSA-N
MW494.63 g/mol
LogP6.69
Rot. Bonds17

About 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate

5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate (PubChem CID 118286214) has the molecular formula C30H38O6 and a molecular weight of 494.63 g/mol. Its IUPAC name is 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
PubChem CID118286214
Molecular FormulaC30H38O6
Molecular Weight494.63 g/mol
Exact Mass494.27
IUPAC Name5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCCOc1ccc(-c2ccc(OCCCCCOC(=O)C(=C)C)cc2)cc1
InChIInChI=1S/C30H38O6/c1-23(2)29(31)35-21-9-5-7-19-33-27-15-11-25(12-16-27)26-13-17-28(18-14-26)34-20-8-6-10-22-36-30(32)24(3)4/h11-18H,1,3,5-10,19-22H2,2,4H3
InChIKeyBWUMXFMRWSAPRG-UHFFFAOYSA-N
XLogP6.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.63
LogP ≤ 56.69
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'}

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Related Compounds

benzoic acid;6-(4-phenylphenoxy)hexyl 2-methylprop-2-enoate
CID 162035072
6-[4-[5-[5-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]thiophen-2-yl]thiophen-2-yl]phenoxy]hexyl 2-methylprop-2-enoate
CID 59207320
11-[4-[4-(2-methylbutoxy)phenyl]phenoxy]undecyl 2-methylprop-2-enoate
CID 101004555
4-[4-[2-[4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]ethynyl]phenoxy]butyl 2-methylprop-2-enoate
CID 58987347
8-(4-methylphenoxy)octyl 6-(2-methylprop-2-enoyloxy)hexanoate
CID 58019571
ethane;4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoic acid
CID 145290925
6-(2-methylprop-2-enoyloxy)hexyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 15451984
6-[4-[4-(4-methylphenyl)buta-1,3-diynyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 118375334
2-[4-[4-(2-propanoyloxyethoxy)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 163508715
pentyl 4-[4-[4-[6-(2-methylprop-2-enoyloxy)hexoxy]benzoyl]oxyphenyl]benzoate
CID 58027852
6-[4-[4-[9-[(E)-3-phenylprop-2-enoyl]oxynonoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433036
6-[4-[4-[8-[(E)-3-phenylprop-2-enoyl]oxyoctoxy]phenyl]phenoxy]hexyl 2-methylprop-2-enoate
CID 101433035

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate?
The IUPAC name of 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate (CID 118286214) is 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate.
What is the SMILES notation for 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate?
The canonical SMILES for 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCCOc1ccc(-c2ccc(OCCCCCOC(=O)C(=C)C)cc2)cc1.
What is the InChIKey of 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate?
The InChIKey is BWUMXFMRWSAPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O6/c1-23(2)29(31)35-21-9-5-7-19-33-27-15-11-25(12-16-27)26-13-17-28(18-14-26)34-20-8-6-10-22-36-30(32)24(3)4/h11-18H,1,3,5-10,19-22H2,2,4H3.
What are the key properties of 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate?
5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate has a molecular weight of 494.63 g/mol, XLogP of 6.69, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[5-(2-methylprop-2-enoyloxy)pentoxy]phenyl]phenoxy]pentyl 2-methylprop-2-enoate is sourced from PubChem (CID 118286214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).