7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate

C36H42O4S4 — CID 101273280

IUPAC7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCOC(=O)C=C)s4)s3)s2)s1
InChIInChI=1S/C36H42O4S4/c1-3-35(37)39-25-13-9-5-7-11-15-27-17-19-29(41-27)31-21-23-33(43-31)34-24-22-32(44-34)30-20-18-28(42-30)16-12-8-6-10-14-26-40-36(38)4-2/h3-4,17-24H,1-2,5-16,25-26H2
InChIKeyKGINSUDPHWGHFI-UHFFFAOYSA-N
MW667.00 g/mol
LogP11.38
Rot. Bonds21

About 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate

7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate (PubChem CID 101273280) has the molecular formula C36H42O4S4 and a molecular weight of 667.00 g/mol. Its IUPAC name is 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate.

Molecular Properties

Compound Name7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate
PubChem CID101273280
Molecular FormulaC36H42O4S4
Molecular Weight667.00 g/mol
Exact Mass666.20
IUPAC Name7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCOC(=O)C=C)s4)s3)s2)s1
InChIInChI=1S/C36H42O4S4/c1-3-35(37)39-25-13-9-5-7-11-15-27-17-19-29(41-27)31-21-23-33(43-31)34-24-22-32(44-34)30-20-18-28(42-30)16-12-8-6-10-14-26-40-36(38)4-2/h3-4,17-24H,1-2,5-16,25-26H2
InChIKeyKGINSUDPHWGHFI-UHFFFAOYSA-N
XLogP11.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.00
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate with MolForge

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
4-prop-2-enoyloxybutyl 5-(5-thiophen-2-ylthiophen-2-yl)thiophene-2-carboxylate
CID 177442308
6-[4-(hydroxymethyl)phenyl]hexyl prop-2-enoate
CID 154679401
5-pyridin-4-ylpentyl prop-2-enoate
CID 122214790
5-(2,4-diaminophenyl)pentyl prop-2-enoate
CID 141309380
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
6-[3-(6-hydroxyhexyl)phenyl]hexyl prop-2-enoate
CID 89073143
19-hydroxynonadecyl prop-2-enoate
CID 20625688
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate?
The IUPAC name of 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate (CID 101273280) is 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate.
What is the SMILES notation for 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate?
The canonical SMILES for 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate is C=CC(=O)OCCCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCCCCOC(=O)C=C)s4)s3)s2)s1.
What is the InChIKey of 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate?
The InChIKey is KGINSUDPHWGHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42O4S4/c1-3-35(37)39-25-13-9-5-7-11-15-27-17-19-29(41-27)31-21-23-33(43-31)34-24-22-32(44-34)30-20-18-28(42-30)16-12-8-6-10-14-26-40-36(38)4-2/h3-4,17-24H,1-2,5-16,25-26H2.
What are the key properties of 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate?
7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate has a molecular weight of 667.00 g/mol, XLogP of 11.38, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-[5-[5-(7-prop-2-enoyloxyheptyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]heptyl prop-2-enoate is sourced from PubChem (CID 101273280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).