2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene

C16H20S2 — CID 146324274

IUPAC2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene
SMILESCCCC(C)(C)C=C(c1cccs1)c1cccs1
InChIInChI=1S/C16H20S2/c1-4-9-16(2,3)12-13(14-7-5-10-17-14)15-8-6-11-18-15/h5-8,10-12H,4,9H2,1-3H3
InChIKeyVRQBEZPFGMDPCR-UHFFFAOYSA-N
MW276.47 g/mol
LogP6.07
Rot. Bonds5

About 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene

2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene (PubChem CID 146324274) has the molecular formula C16H20S2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene.

Molecular Properties

Compound Name2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene
PubChem CID146324274
Molecular FormulaC16H20S2
Molecular Weight276.47 g/mol
Exact Mass276.10
IUPAC Name2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene
SMILESCCCC(C)(C)C=C(c1cccs1)c1cccs1
InChIInChI=1S/C16H20S2/c1-4-9-16(2,3)12-13(14-7-5-10-17-14)15-8-6-11-18-15/h5-8,10-12H,4,9H2,1-3H3
InChIKeyVRQBEZPFGMDPCR-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,6-bis(2-methylpentan-2-yl)phenol
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1-thiophen-2-ylpropan-1-one
CID 26179
2-[(Z)-1-chlorobut-1-enyl]thiophene
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2-[chloro(thiophen-2-yl)methylidene]butanal
CID 53423304
N-[3-[(2-amino-2-methylpentanoyl)amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764489
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
4-oxo-3-thiophen-2-ylpent-2-enal
CID 174361029
2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
CID 102204980
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CID 15249530

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene?
The IUPAC name of 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene (CID 146324274) is 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene.
What is the SMILES notation for 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene?
The canonical SMILES for 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene is CCCC(C)(C)C=C(c1cccs1)c1cccs1.
What is the InChIKey of 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene?
The InChIKey is VRQBEZPFGMDPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20S2/c1-4-9-16(2,3)12-13(14-7-5-10-17-14)15-8-6-11-18-15/h5-8,10-12H,4,9H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene?
2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene has a molecular weight of 276.47 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-1-thiophen-2-ylhex-1-enyl)thiophene is sourced from PubChem (CID 146324274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).