4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene

C11H16S — CID 176926906

IUPAC4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
SMILESCC1(C)CCCCc2sccc21
InChIInChI=1S/C11H16S/c1-11(2)7-4-3-5-10-9(11)6-8-12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRRIDYUMBJIMZOG-UHFFFAOYSA-N
MW180.32 g/mol
LogP3.75
Rot. Bonds

About 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene

4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene (PubChem CID 176926906) has the molecular formula C11H16S and a molecular weight of 180.32 g/mol. Its IUPAC name is 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene.

Molecular Properties

Compound Name4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
PubChem CID176926906
Molecular FormulaC11H16S
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene
SMILESCC1(C)CCCCc2sccc21
InChIInChI=1S/C11H16S/c1-11(2)7-4-3-5-10-9(11)6-8-12-10/h6,8H,3-5,7H2,1-2H3
InChIKeyRRIDYUMBJIMZOG-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 69416782
4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 86218651
(4S)-4-ethenyl-6,7-dihydro-5H-1-benzothiophen-4-ol
CID 129386416
4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
CID 176611134
4,4-dimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
CID 58117497
1-tert-butyl-5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene
CID 162694173
N-methyl-5,5a,6,7,8,9-hexahydro-4H-benzo[e][1]benzothiol-9a-amine
CID 19107024
ethane;5-methylspiro[6,7-dihydrothieno[3,2-c]pyridine-4,1'-cyclopropane]
CID 177037202
(4S)-4-methyl-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-ol
CID 139400797
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
5,5-dimethyl-6,7,8,9-tetrahydrobenzo[7]annulene-3-carboxylic acid
CID 18989995
3',3'-dimethylspiro[6,7-dihydro-5H-thieno[3,2-c]pyridine-4,1'-cyclobutane]
CID 130794942

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene?
The IUPAC name of 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene (CID 176926906) is 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene.
What is the SMILES notation for 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene?
The canonical SMILES for 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene is CC1(C)CCCCc2sccc21.
What is the InChIKey of 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene?
The InChIKey is RRIDYUMBJIMZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S/c1-11(2)7-4-3-5-10-9(11)6-8-12-10/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene?
4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene has a molecular weight of 180.32 g/mol, XLogP of 3.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-5,6,7,8-tetrahydrocyclohepta[b]thiophene is sourced from PubChem (CID 176926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).