4-cyclohex-2-en-1-ylsulfanyloxane

C11H18OS — CID 127661701

IUPAC4-cyclohex-2-en-1-ylsulfanyloxane
SMILESC1=CC(SC2CCOCC2)CCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4,10-11H,1,3,5-9H2
InChIKeyVXKXVNUHKIBVGA-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.01
Rot. Bonds2

About 4-cyclohex-2-en-1-ylsulfanyloxane

4-cyclohex-2-en-1-ylsulfanyloxane (PubChem CID 127661701) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-ylsulfanyloxane.

Molecular Properties

Compound Name4-cyclohex-2-en-1-ylsulfanyloxane
PubChem CID127661701
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Name4-cyclohex-2-en-1-ylsulfanyloxane
SMILESC1=CC(SC2CCOCC2)CCC1
InChIInChI=1S/C11H18OS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4,10-11H,1,3,5-9H2
InChIKeyVXKXVNUHKIBVGA-UHFFFAOYSA-N
XLogP3.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-cyclohex-2-en-1-ylsulfanyloxane?
The IUPAC name of 4-cyclohex-2-en-1-ylsulfanyloxane (CID 127661701) is 4-cyclohex-2-en-1-ylsulfanyloxane.
What is the SMILES notation for 4-cyclohex-2-en-1-ylsulfanyloxane?
The canonical SMILES for 4-cyclohex-2-en-1-ylsulfanyloxane is C1=CC(SC2CCOCC2)CCC1.
What is the InChIKey of 4-cyclohex-2-en-1-ylsulfanyloxane?
The InChIKey is VXKXVNUHKIBVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18OS/c1-2-4-10(5-3-1)13-11-6-8-12-9-7-11/h2,4,10-11H,1,3,5-9H2.
What are the key properties of 4-cyclohex-2-en-1-ylsulfanyloxane?
4-cyclohex-2-en-1-ylsulfanyloxane has a molecular weight of 198.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-ylsulfanyloxane is sourced from PubChem (CID 127661701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).