5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene

C18H30S — CID 58174531

IUPAC5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene
SMILESC=C1CC(C(C)(C)C)CC(C)=C1SC1CCCCC1
InChIInChI=1S/C18H30S/c1-13-11-15(18(3,4)5)12-14(2)17(13)19-16-9-7-6-8-10-16/h15-16H,1,6-12H2,2-5H3
InChIKeyOJCBMQGLKWPFTG-UHFFFAOYSA-N
MW278.50 g/mol
LogP6.34
Rot. Bonds2

About 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene

5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene (PubChem CID 58174531) has the molecular formula C18H30S and a molecular weight of 278.50 g/mol. Its IUPAC name is 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene.

Molecular Properties

Compound Name5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene
PubChem CID58174531
Molecular FormulaC18H30S
Molecular Weight278.50 g/mol
Exact Mass278.21
IUPAC Name5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene
SMILESC=C1CC(C(C)(C)C)CC(C)=C1SC1CCCCC1
InChIInChI=1S/C18H30S/c1-13-11-15(18(3,4)5)12-14(2)17(13)19-16-9-7-6-8-10-16/h15-16H,1,6-12H2,2-5H3
InChIKeyOJCBMQGLKWPFTG-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.50
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene?
The IUPAC name of 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene (CID 58174531) is 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene.
What is the SMILES notation for 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene?
The canonical SMILES for 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene is C=C1CC(C(C)(C)C)CC(C)=C1SC1CCCCC1.
What is the InChIKey of 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene?
The InChIKey is OJCBMQGLKWPFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30S/c1-13-11-15(18(3,4)5)12-14(2)17(13)19-16-9-7-6-8-10-16/h15-16H,1,6-12H2,2-5H3.
What are the key properties of 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene?
5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene has a molecular weight of 278.50 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-cyclohexylsulfanyl-1-methyl-3-methylidenecyclohexene is sourced from PubChem (CID 58174531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).