2-(4-tert-butylcyclohex-3-en-1-yl)thiolane

C14H24S — CID 71107958

IUPAC2-(4-tert-butylcyclohex-3-en-1-yl)thiolane
SMILESCC(C)(C)C1=CCC(C2CCCS2)CC1
InChIInChI=1S/C14H24S/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyLUDBMFMNNLECNM-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.65
Rot. Bonds1

About 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane

2-(4-tert-butylcyclohex-3-en-1-yl)thiolane (PubChem CID 71107958) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane.

Molecular Properties

Compound Name2-(4-tert-butylcyclohex-3-en-1-yl)thiolane
PubChem CID71107958
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name2-(4-tert-butylcyclohex-3-en-1-yl)thiolane
SMILESCC(C)(C)C1=CCC(C2CCCS2)CC1
InChIInChI=1S/C14H24S/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h8,11,13H,4-7,9-10H2,1-3H3
InChIKeyLUDBMFMNNLECNM-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane?
The IUPAC name of 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane (CID 71107958) is 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane.
What is the SMILES notation for 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane?
The canonical SMILES for 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane is CC(C)(C)C1=CCC(C2CCCS2)CC1.
What is the InChIKey of 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane?
The InChIKey is LUDBMFMNNLECNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-14(2,3)12-8-6-11(7-9-12)13-5-4-10-15-13/h8,11,13H,4-7,9-10H2,1-3H3.
What are the key properties of 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane?
2-(4-tert-butylcyclohex-3-en-1-yl)thiolane has a molecular weight of 224.41 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylcyclohex-3-en-1-yl)thiolane is sourced from PubChem (CID 71107958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).