1-tert-butyl-4-propylsulfanylcyclohexane

C13H26S — CID 14890763

IUPAC1-tert-butyl-4-propylsulfanylcyclohexane
SMILESCCCSC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26S/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyUIQQOJWRXNBDRP-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.73
Rot. Bonds3

About 1-tert-butyl-4-propylsulfanylcyclohexane

1-tert-butyl-4-propylsulfanylcyclohexane (PubChem CID 14890763) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 1-tert-butyl-4-propylsulfanylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-propylsulfanylcyclohexane
PubChem CID14890763
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name1-tert-butyl-4-propylsulfanylcyclohexane
SMILESCCCSC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C13H26S/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h11-12H,5-10H2,1-4H3
InChIKeyUIQQOJWRXNBDRP-UHFFFAOYSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propylsulfanylcyclohexane?
The IUPAC name of 1-tert-butyl-4-propylsulfanylcyclohexane (CID 14890763) is 1-tert-butyl-4-propylsulfanylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-propylsulfanylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-propylsulfanylcyclohexane is CCCSC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propylsulfanylcyclohexane?
The InChIKey is UIQQOJWRXNBDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-5-10-14-12-8-6-11(7-9-12)13(2,3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-propylsulfanylcyclohexane?
1-tert-butyl-4-propylsulfanylcyclohexane has a molecular weight of 214.42 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propylsulfanylcyclohexane is sourced from PubChem (CID 14890763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).