1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane

C12H22S — CID 11084824

IUPAC1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane
SMILESCSC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22S/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyMAUBBCNYZNXNSK-KTKRTIGZSA-N
MW198.38 g/mol
LogP4.47
Rot. Bonds1

About 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane

1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane (PubChem CID 11084824) has the molecular formula C12H22S and a molecular weight of 198.38 g/mol. Its IUPAC name is 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane
PubChem CID11084824
Molecular FormulaC12H22S
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane
SMILESCSC=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C12H22S/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h9,11H,5-8H2,1-4H3/b10-9-
InChIKeyMAUBBCNYZNXNSK-KTKRTIGZSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexane, 1-(1,1-dimethylethyl)-4-methylene-
CID 139425
1-(2-Methylenecyclohexyl)butane-1-thiol
CID 11217648
1-Tert-butyl-4-[(4-methylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
CID 101789912
1-Tert-butyl-4-[(4-tert-butylcyclohexylidene)methylsulfanylmethylidene]cyclohexane
CID 101789913
1-Tert-butyl-4-(pent-1-enylsulfanylmethylidene)cyclohexane
CID 134834821
methyl (1S)-2,2-dimethyl-6-methylidenecyclohexane-1-carbodithioate
CID 641989
Methyl 2,2-dimethyl-6-methylidenecyclohexane-1-carbodithioate
CID 14059094
1-Cyclohexyl-3-methyl-3-butene-1-thiol
CID 24973560
Methylene-2-t-butylcyclohexane
CID 13449626
4-Methylidene-1,1-di(propan-2-yl)cyclohexane
CID 21068519
1-(2-Methylbutan-2-yl)-4-methylidenecyclohexane
CID 23396027
CID 57951461
CID 57951461

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane?
The IUPAC name of 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane (CID 11084824) is 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane?
The canonical SMILES for 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane is CSC=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane?
The InChIKey is MAUBBCNYZNXNSK-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H22S/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h9,11H,5-8H2,1-4H3/b10-9-.
What are the key properties of 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane?
1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane has a molecular weight of 198.38 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(methylsulfanylmethylidene)cyclohexane is sourced from PubChem (CID 11084824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).