2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene

C20H30S2 — CID 146200262

IUPAC2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene
SMILESCC(C)c1csc(C(C)CCC(C)c2ccc(C(C)C)s2)c1
InChIInChI=1S/C20H30S2/c1-13(2)17-11-20(21-12-17)16(6)8-7-15(5)19-10-9-18(22-19)14(3)4/h9-16H,7-8H2,1-6H3
InChIKeySRALNRFMTLSCSN-UHFFFAOYSA-N
MW334.59 g/mol
LogP7.74
Rot. Bonds7

About 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene

2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene (PubChem CID 146200262) has the molecular formula C20H30S2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene.

Molecular Properties

Compound Name2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene
PubChem CID146200262
Molecular FormulaC20H30S2
Molecular Weight334.59 g/mol
Exact Mass334.18
IUPAC Name2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene
SMILESCC(C)c1csc(C(C)CCC(C)c2ccc(C(C)C)s2)c1
InChIInChI=1S/C20H30S2/c1-13(2)17-11-20(21-12-17)16(6)8-7-15(5)19-10-9-18(22-19)14(3)4/h9-16H,7-8H2,1-6H3
InChIKeySRALNRFMTLSCSN-UHFFFAOYSA-N
XLogP7.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.59
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene?
The IUPAC name of 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene (CID 146200262) is 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene.
What is the SMILES notation for 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene?
The canonical SMILES for 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene is CC(C)c1csc(C(C)CCC(C)c2ccc(C(C)C)s2)c1.
What is the InChIKey of 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene?
The InChIKey is SRALNRFMTLSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30S2/c1-13(2)17-11-20(21-12-17)16(6)8-7-15(5)19-10-9-18(22-19)14(3)4/h9-16H,7-8H2,1-6H3.
What are the key properties of 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene?
2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene has a molecular weight of 334.59 g/mol, XLogP of 7.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[5-(4-propan-2-ylthiophen-2-yl)hexan-2-yl]thiophene is sourced from PubChem (CID 146200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).