2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene

C16H18S — CID 91131106

IUPAC2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene
SMILESCCCC1(C2(C)C=C3C=CC=C3S2)C=CC=C1
InChIInChI=1S/C16H18S/c1-3-9-16(10-4-5-11-16)15(2)12-13-7-6-8-14(13)17-15/h4-8,10-12H,3,9H2,1-2H3
InChIKeyANQMQBMZJPTRFV-UHFFFAOYSA-N
MW242.39 g/mol
LogP4.78
Rot. Bonds3

About 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene

2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene (PubChem CID 91131106) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene.

Molecular Properties

Compound Name2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene
PubChem CID91131106
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene
SMILESCCCC1(C2(C)C=C3C=CC=C3S2)C=CC=C1
InChIInChI=1S/C16H18S/c1-3-9-16(10-4-5-11-16)15(2)12-13-7-6-8-14(13)17-15/h4-8,10-12H,3,9H2,1-2H3
InChIKeyANQMQBMZJPTRFV-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1',3'-ditert-butylspiro[cyclohepta[b]thiophene-2,5'-cyclopenta-1,3-diene]
CID 15442903
4,4-Diethylhexyl-cyclopenta[2,1-b:3,4-b']dithiophene
CID 129867003
2-methyl-3-[2-(2-methyl-3aH-cyclopenta[b]thiophen-3-yl)propan-2-yl]-3aH-cyclopenta[b]thiophene
CID 17801275
2-ethyl-3-[2-(2-ethyl-3aH-cyclopenta[b]thiophen-3-yl)propan-2-yl]-3aH-cyclopenta[b]thiophene
CID 17801298
6-Tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1,3-dimethylcyclohexa-1,3-diene;titanium(3+);dichloride
CID 87976625
6-Tert-butylsulfanyl-6-(2-cyclopenta-1,4-dien-1-ylpropan-2-yl)-1-methylcyclohexa-1,3-diene;titanium(3+);dichloride
CID 87977718
(2Z,4E)-6,6,8-trimethyl-5-[(Z)-prop-1-enyl]-8-(2,3,3,4-tetramethylpentan-2-ylsulfanyl)nona-2,4-diene
CID 132172000
2-[(1Z)-buta-1,3-dienyl]-7-tert-butyl-3-methyl-5,6-dihydro-1-benzothiophene
CID 139393060
3-(3-tert-butylcyclopenta-1,3-dien-1-yl)-2-methyl-1-propan-2-ylidene-2H-cyclopenta[b]thiophene
CID 140525873
3-(3-tert-butylcyclopenta-2,4-dien-1-yl)-2-methyl-1-propan-2-ylidene-2H-cyclopenta[b]thiophene
CID 141593144
Dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-[3-(2,3,3-trimethylpent-4-en-2-yl)cyclopenta-2,4-dien-1-yl]-lambda4-sulfane
CID 146435945
5-ethenyl-1,1,2,2,3,3-hexamethyl-4-[(Z)-prop-1-enyl]thiophene
CID 154981940

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene?
The IUPAC name of 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene (CID 91131106) is 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene.
What is the SMILES notation for 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene?
The canonical SMILES for 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene is CCCC1(C2(C)C=C3C=CC=C3S2)C=CC=C1.
What is the InChIKey of 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene?
The InChIKey is ANQMQBMZJPTRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18S/c1-3-9-16(10-4-5-11-16)15(2)12-13-7-6-8-14(13)17-15/h4-8,10-12H,3,9H2,1-2H3.
What are the key properties of 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene?
2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene has a molecular weight of 242.39 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-propylcyclopenta-2,4-dien-1-yl)cyclopenta[b]thiophene is sourced from PubChem (CID 91131106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).