4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene

C20H24S3 — CID 10832401

IUPAC4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene
SMILESCc1cc(C(c2csc(C)c2)(c2csc(C)c2)C(C)(C)C)cs1
InChIInChI=1S/C20H24S3/c1-13-7-16(10-21-13)20(19(4,5)6,17-8-14(2)22-11-17)18-9-15(3)23-12-18/h7-12H,1-6H3
InChIKeyBIDNVWZCTIQILT-UHFFFAOYSA-N
MW360.61 g/mol
LogP7.18
Rot. Bonds3

About 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene

4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene (PubChem CID 10832401) has the molecular formula C20H24S3 and a molecular weight of 360.61 g/mol. Its IUPAC name is 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene.

Molecular Properties

Compound Name4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene
PubChem CID10832401
Molecular FormulaC20H24S3
Molecular Weight360.61 g/mol
Exact Mass360.10
IUPAC Name4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene
SMILESCc1cc(C(c2csc(C)c2)(c2csc(C)c2)C(C)(C)C)cs1
InChIInChI=1S/C20H24S3/c1-13-7-16(10-21-13)20(19(4,5)6,17-8-14(2)22-11-17)18-9-15(3)23-12-18/h7-12H,1-6H3
InChIKeyBIDNVWZCTIQILT-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.61
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene?
The IUPAC name of 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene (CID 10832401) is 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene.
What is the SMILES notation for 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene?
The canonical SMILES for 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene is Cc1cc(C(c2csc(C)c2)(c2csc(C)c2)C(C)(C)C)cs1.
What is the InChIKey of 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene?
The InChIKey is BIDNVWZCTIQILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24S3/c1-13-7-16(10-21-13)20(19(4,5)6,17-8-14(2)22-11-17)18-9-15(3)23-12-18/h7-12H,1-6H3.
What are the key properties of 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene?
4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene has a molecular weight of 360.61 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-1,1-bis(5-methylthiophen-3-yl)propyl]-2-methylthiophene is sourced from PubChem (CID 10832401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).