3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate

C42H38O6 — CID 160683085

IUPAC3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)=C(C)Oc1ccc2cc(-c3ccc(-c4ccc5cc(OC(C)=C(C)OC(=O)C(=C)C)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C42H38O6/c1-25(2)41(43)47-29(7)27(5)45-39-19-17-35-21-33(13-15-37(35)23-39)31-9-11-32(12-10-31)34-14-16-38-24-40(20-18-36(38)22-34)46-28(6)30(8)48-42(44)26(3)4/h9-24H,1,3H2,2,4-8H3
InChIKeyIOXDLSRNCKHTJH-UHFFFAOYSA-N
MW638.76 g/mol
LogP10.83
Rot. Bonds10

About 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate

3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate (PubChem CID 160683085) has the molecular formula C42H38O6 and a molecular weight of 638.76 g/mol. Its IUPAC name is 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate
PubChem CID160683085
Molecular FormulaC42H38O6
Molecular Weight638.76 g/mol
Exact Mass638.27
IUPAC Name3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)=C(C)Oc1ccc2cc(-c3ccc(-c4ccc5cc(OC(C)=C(C)OC(=O)C(=C)C)ccc5c4)cc3)ccc2c1
InChIInChI=1S/C42H38O6/c1-25(2)41(43)47-29(7)27(5)45-39-19-17-35-21-33(13-15-37(35)23-39)31-9-11-32(12-10-31)34-14-16-38-24-40(20-18-36(38)22-34)46-28(6)30(8)48-42(44)26(3)4/h9-24H,1,3H2,2,4-8H3
InChIKeyIOXDLSRNCKHTJH-UHFFFAOYSA-N
XLogP10.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.76
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate 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

[6-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]oxynaphthalen-2-yl] 2-methylprop-2-enoate
CID 58069127
[(E)-3-[4-[4-[(E)-3-(2-methylprop-2-enoyloxy)but-2-en-2-yl]oxynaphthalen-1-yl]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 118881585
2-[6-(4-prop-2-enoyloxyphenyl)naphthalen-2-yl]oxyethenyl 2-methylprop-2-enoate
CID 123781400
[(E)-3-[4-(4-ethyl-2-methylphenyl)-3-methylphenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 130304905
[6-[N-[6-(2-methylprop-2-enoyloxy)naphthalen-2-yl]-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58520173
[(E)-3-[4-[2-ethyl-4-(4-ethylphenyl)-5-methylphenyl]phenoxy]but-2-en-2-yl] 2-methylprop-2-enoate
CID 130304914
[4-[4-(2-methylprop-2-enoyloxy)-3-[(3Z,5E)-5-(2-methylprop-2-enoyloxy)hepta-1,3,5-trien-2-yl]phenyl]phenyl] 2-methylprop-2-enoate
CID 146514183
[4-[4-(4-prop-2-enoyloxyphenyl)phenyl]phenyl] 2-methylprop-2-enoate
CID 118680413
[4-(4-prop-2-enoyloxyphenyl)phenyl] 2-methylprop-2-enoate
CID 89212422
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
[4-[6,7-bis(2-methylprop-2-enoyloxy)naphthalen-2-yl]-2-(2-methylprop-2-enoyloxy)phenyl] 2-methylprop-2-enoate;[3,6,7-tris(2-methylprop-2-enoyloxy)phenanthren-2-yl] 2-methylprop-2-enoate
CID 161197978
[2-fluoro-4-(4-methoxyphenyl)phenyl] 2-methylprop-2-enoate;formaldehyde;2-methylprop-1-ene
CID 145389577

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate?
The IUPAC name of 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate (CID 160683085) is 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate.
What is the SMILES notation for 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate?
The canonical SMILES for 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)=C(C)Oc1ccc2cc(-c3ccc(-c4ccc5cc(OC(C)=C(C)OC(=O)C(=C)C)ccc5c4)cc3)ccc2c1.
What is the InChIKey of 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate?
The InChIKey is IOXDLSRNCKHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38O6/c1-25(2)41(43)47-29(7)27(5)45-39-19-17-35-21-33(13-15-37(35)23-39)31-9-11-32(12-10-31)34-14-16-38-24-40(20-18-36(38)22-34)46-28(6)30(8)48-42(44)26(3)4/h9-24H,1,3H2,2,4-8H3.
What are the key properties of 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate?
3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate has a molecular weight of 638.76 g/mol, XLogP of 10.83, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[6-[3-(2-methylprop-2-enoyloxy)but-2-en-2-yloxy]naphthalen-2-yl]phenyl]naphthalen-2-yl]oxybut-2-en-2-yl 2-methylprop-2-enoate is sourced from PubChem (CID 160683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).