6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene

C15H22S — CID 144692007

IUPAC6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene
SMILESCCC(C)(C)C1(C)C=CC2=C(C=C1)SCC2
InChIInChI=1S/C15H22S/c1-5-14(2,3)15(4)9-6-12-8-11-16-13(12)7-10-15/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyIFFDGCLBYHGTQY-UHFFFAOYSA-N
MW234.41 g/mol
LogP4.95
Rot. Bonds2

About 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene

6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene (PubChem CID 144692007) has the molecular formula C15H22S and a molecular weight of 234.41 g/mol. Its IUPAC name is 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene.

Molecular Properties

Compound Name6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene
PubChem CID144692007
Molecular FormulaC15H22S
Molecular Weight234.41 g/mol
Exact Mass234.14
IUPAC Name6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene
SMILESCCC(C)(C)C1(C)C=CC2=C(C=C1)SCC2
InChIInChI=1S/C15H22S/c1-5-14(2,3)15(4)9-6-12-8-11-16-13(12)7-10-15/h6-7,9-10H,5,8,11H2,1-4H3
InChIKeyIFFDGCLBYHGTQY-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.41
LogP ≤ 54.95
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
2,7-Di-tert-butylthiepin, 4-methyl-2,3-dihydro-
CID 145336
(1S,2S,6R)-3-propan-2-ylidene-7-thiatricyclo[6.5.0.02,6]trideca-4,8,10,12-tetraene
CID 14926675
6,7,7,7a-Tetramethyl-1-benzothiophene
CID 59419983
(Z,4E)-4-ethylidene-5,5,6-trimethyl-6-(4-methylpentan-2-ylsulfanyl)hept-2-ene
CID 132172001
(2S,3S,8S)-3,8-dimethyl-2-[(Z)-prop-1-enyl]-3,8-dihydro-2H-cyclohepta[b]thiophene
CID 132264728
3-[(1Z)-buta-1,3-dienyl]-2,3a,4-trimethyl-7aH-1-benzothiophene
CID 134173049
3,6-dimethyl-3,4-dihydro-2H-cyclohepta[b]thiophene
CID 137484223
2-(2-Methyl-3-methylsulfanylbutan-2-yl)cyclohepta-1,3,5-triene
CID 143065445
Ethane;13-ethyl-5,5,13-trimethyl-9-thiatricyclo[8.5.0.02,8]pentadeca-1(15),2(8),3,6,10-pentaene
CID 143143936
6-tert-butyl-2-(3-methylpentan-3-yl)-7H-cyclohepta[b]thiophene
CID 143322061
6-tert-butyl-2-(3-methylpentan-3-yl)-5H-cyclohepta[b]thiophene
CID 143322112

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene?
The IUPAC name of 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene (CID 144692007) is 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene.
What is the SMILES notation for 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene?
The canonical SMILES for 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene is CCC(C)(C)C1(C)C=CC2=C(C=C1)SCC2.
What is the InChIKey of 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene?
The InChIKey is IFFDGCLBYHGTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S/c1-5-14(2,3)15(4)9-6-12-8-11-16-13(12)7-10-15/h6-7,9-10H,5,8,11H2,1-4H3.
What are the key properties of 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene?
6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene has a molecular weight of 234.41 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-(2-methylbutan-2-yl)-2,3-dihydrocyclohepta[b]thiophene is sourced from PubChem (CID 144692007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).