5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene

C9H16S — CID 130381747

IUPAC5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene
SMILESCC1(C)CC2CCSC2C1
InChIInChI=1S/C9H16S/c1-9(2)5-7-3-4-10-8(7)6-9/h7-8H,3-6H2,1-2H3
InChIKeyZJDOLRDUBOGXKJ-UHFFFAOYSA-N
MW156.29 g/mol
LogP2.93
Rot. Bonds

About 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene

5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene (PubChem CID 130381747) has the molecular formula C9H16S and a molecular weight of 156.29 g/mol. Its IUPAC name is 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene.

Molecular Properties

Compound Name5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene
PubChem CID130381747
Molecular FormulaC9H16S
Molecular Weight156.29 g/mol
Exact Mass156.10
IUPAC Name5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene
SMILESCC1(C)CC2CCSC2C1
InChIInChI=1S/C9H16S/c1-9(2)5-7-3-4-10-8(7)6-9/h7-8H,3-6H2,1-2H3
InChIKeyZJDOLRDUBOGXKJ-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,10-dithiatricyclo[7.3.0.03,7]dodecane
CID 155621641
6,6-dimethyl-3,3a,5,6a-tetrahydro-2H-thieno[3,2-b]thiophene
CID 130381759
5-(3,3-dimethylcyclobutyl)bicyclo[2.1.1]hexane
CID 143329960
4,9,9-trimethyltricyclo[5.3.1.02,6]undecane
CID 142004416
(3,3-dimethyl-8-bicyclo[3.2.1]octanyl)methanol
CID 115013484
5,5-dimethyltricyclo[5.2.1.03,9]decane
CID 123402715
N-(3,3-dimethylcyclobutyl)thian-4-amine
CID 115021835
(3aR,7aR)-2,2,4,4,7,7-hexamethyl-1,3,3a,5,6,7a-hexahydroindene
CID 91731723
1,1,3-trimethylcyclobutane
CID 12656861
4,4-dimethyl-7-thia-10-azatricyclo[6.4.0.02,6]dodecan-9-one
CID 141371344
6-ethyl-3,3-dimethylbicyclo[3.2.1]octane
CID 123209192
(7,7-dimethyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115022115

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene?
The IUPAC name of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene (CID 130381747) is 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene.
What is the SMILES notation for 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene?
The canonical SMILES for 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene is CC1(C)CC2CCSC2C1.
What is the InChIKey of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene?
The InChIKey is ZJDOLRDUBOGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16S/c1-9(2)5-7-3-4-10-8(7)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene?
5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene has a molecular weight of 156.29 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2,3,3a,4,6,6a-hexahydrocyclopenta[b]thiophene is sourced from PubChem (CID 130381747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).