7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene

C10H14S — CID 178082899

IUPAC7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
SMILESCSC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H14S/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,1-3H3
InChIKeyVVIMFDSYKODXAT-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.39
Rot. Bonds1

About 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene

7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene (PubChem CID 178082899) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
PubChem CID178082899
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene
SMILESCSC1=CC=CC(C)(C)C=C1
InChIInChI=1S/C10H14S/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,1-3H3
InChIKeyVVIMFDSYKODXAT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
CID 170198624
1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
CID 144703387
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-1λ3-iodacyclohexa-1,3,5-triene
CID 163543681
1-methyl-3-methylsulfanylcyclohepta-2,4,6-trien-1-amine
CID 142348741
3-but-1-en-3-ynyl-7,7-dimethylcyclohepta-1,3,5-triene
CID 123389777
3-cyclohexa-1,5-dien-1-yl-7,7-dimethylcyclohepta-1,3,5-triene
CID 145419102
(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)methanesulfinic acid
CID 123541788
CID 159015960
CID 159015960
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-N-ethyl-N-methylethanamine
CID 142096993
N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide
CID 123661036

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene?
The IUPAC name of 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene (CID 178082899) is 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene?
The canonical SMILES for 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene is CSC1=CC=CC(C)(C)C=C1.
What is the InChIKey of 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene?
The InChIKey is VVIMFDSYKODXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-10(2)7-4-5-9(11-3)6-8-10/h4-8H,1-3H3.
What are the key properties of 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene?
7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene has a molecular weight of 166.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-methylsulfanylcyclohepta-1,3,5-triene is sourced from PubChem (CID 178082899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).