2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene

C20H26S — CID 130240250

IUPAC2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
SMILESC=CC1=C(C(=C)c2sc3c(c2C)CC(C)(C)CC3)CCC1
InChIInChI=1S/C20H26S/c1-6-15-8-7-9-16(15)13(2)19-14(3)17-12-20(4,5)11-10-18(17)21-19/h6H,1-2,7-12H2,3-5H3
InChIKeyDDYJTVVQVFGSBN-UHFFFAOYSA-N
MW298.50 g/mol
LogP6.25
Rot. Bonds3

About 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene

2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene (PubChem CID 130240250) has the molecular formula C20H26S and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene.

Molecular Properties

Compound Name2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
PubChem CID130240250
Molecular FormulaC20H26S
Molecular Weight298.50 g/mol
Exact Mass298.18
IUPAC Name2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
SMILESC=CC1=C(C(=C)c2sc3c(c2C)CC(C)(C)CC3)CCC1
InChIInChI=1S/C20H26S/c1-6-15-8-7-9-16(15)13(2)19-14(3)17-12-20(4,5)11-10-18(17)21-19/h6H,1-2,7-12H2,3-5H3
InChIKeyDDYJTVVQVFGSBN-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.50
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene with MolForge

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Related Compounds

1-[5,5-dimethyl-2-[1-(sulfanylamino)ethenyl]-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130239519
5,5-dimethyl-2-[(3Z)-penta-1,3-dien-2-yl]-6,7-dihydro-4H-1-benzothiophene-3-carboxylic acid
CID 130240126
(3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)methanamine
CID 130398705
3,5,5-trimethyl-2-[4-(4-methylphenyl)phenyl]-6,7-dihydro-4H-1-benzothiophene
CID 145031429
1-(2-ethenylcyclopenten-1-yl)ethenamine
CID 143285924
N-(5,5-dimethyl-3-prop-1-en-2-yl-6,7-dihydro-4H-1-benzothiophen-2-yl)formamide
CID 130239785
formic acid;[5-methoxy-2-(3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophen-2-yl)phenyl]methanol
CID 145031494
1-ethenyl-2-methylcyclopentene
CID 123848216
1-(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenol
CID 130239610
ethenylcyclopropane;N-[1-(2,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophen-3-yl)ethenyl]butan-1-amine
CID 153377066
1-[5,5-dimethyl-2-[4-methyl-2-[(sulfanylamino)methyl]phenyl]-6,7-dihydro-4H-1-benzothiophen-3-yl]ethenol
CID 130239704
cyclopentane;formic acid;methanamine;3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene
CID 145031268

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene?
The IUPAC name of 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene (CID 130240250) is 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene.
What is the SMILES notation for 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene?
The canonical SMILES for 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene is C=CC1=C(C(=C)c2sc3c(c2C)CC(C)(C)CC3)CCC1.
What is the InChIKey of 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene?
The InChIKey is DDYJTVVQVFGSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26S/c1-6-15-8-7-9-16(15)13(2)19-14(3)17-12-20(4,5)11-10-18(17)21-19/h6H,1-2,7-12H2,3-5H3.
What are the key properties of 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene?
2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene has a molecular weight of 298.50 g/mol, XLogP of 6.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethenylcyclopenten-1-yl)ethenyl]-3,5,5-trimethyl-6,7-dihydro-4H-1-benzothiophene is sourced from PubChem (CID 130240250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).