2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene

C32H54S2 — CID 67534998

IUPAC2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene
SMILESCCCCCCCCCC(CC)c1ccc(-c2ccc(C(CC)CCCCCCCCC)s2)s1
InChIInChI=1S/C32H54S2/c1-5-9-11-13-15-17-19-21-27(7-3)29-23-25-31(33-29)32-26-24-30(34-32)28(8-4)22-20-18-16-14-12-10-6-2/h23-28H,5-22H2,1-4H3
InChIKeyMOOHOMGETZVELA-UHFFFAOYSA-N
MW502.92 g/mol
LogP12.75
Rot. Bonds21

About 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene

2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene (PubChem CID 67534998) has the molecular formula C32H54S2 and a molecular weight of 502.92 g/mol. Its IUPAC name is 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene
PubChem CID67534998
Molecular FormulaC32H54S2
Molecular Weight502.92 g/mol
Exact Mass502.37
IUPAC Name2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene
SMILESCCCCCCCCCC(CC)c1ccc(-c2ccc(C(CC)CCCCCCCCC)s2)s1
InChIInChI=1S/C32H54S2/c1-5-9-11-13-15-17-19-21-27(7-3)29-23-25-31(33-29)32-26-24-30(34-32)28(8-4)22-20-18-16-14-12-10-6-2/h23-28H,5-22H2,1-4H3
InChIKeyMOOHOMGETZVELA-UHFFFAOYSA-N
XLogP12.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.92
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[5-[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005984
2,5-bis[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 135005982
2,5-di(octan-3-yl)thiophene
CID 151127806
1,4-bis[5-[5-[5-[5-(5-nonadecan-9-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]butane-1,4-dione
CID 135005985
[4,8-bis(5-octan-3-ylthiophen-2-yl)-2-trimethylstannylthieno[2,3-f][1]benzothiol-6-yl]-trimethylstannane
CID 131697925
2-butyl-5-(5-nonan-2-ylthiophen-2-yl)thiophene
CID 123248054
2-heptan-3-yl-5-(1-thiophen-2-ylethyl)thiophene
CID 129169436
4-(5-propylthiophen-2-yl)hexan-1-amine
CID 83929486
2-tetradecan-7-ylthiophene
CID 137450901
octan-3-ylbenzene
CID 519547
2-heptadecan-5-ylthiophene
CID 19734009
4-dodecan-3-ylphenol
CID 12820022

Frequently Asked Questions

What is the IUPAC name of 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene?
The IUPAC name of 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene (CID 67534998) is 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene is CCCCCCCCCC(CC)c1ccc(-c2ccc(C(CC)CCCCCCCCC)s2)s1.
What is the InChIKey of 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene?
The InChIKey is MOOHOMGETZVELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54S2/c1-5-9-11-13-15-17-19-21-27(7-3)29-23-25-31(33-29)32-26-24-30(34-32)28(8-4)22-20-18-16-14-12-10-6-2/h23-28H,5-22H2,1-4H3.
What are the key properties of 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene?
2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene has a molecular weight of 502.92 g/mol, XLogP of 12.75, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecan-3-yl-5-(5-dodecan-3-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 67534998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).