(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane

C16H20OS — CID 177432838

IUPAC(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane
SMILESO=S(C/C=C1/CC2CCCCC12)c1ccccc1
InChIInChI=1S/C16H20OS/c17-18(15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)14/h1-3,7-8,10,13,16H,4-6,9,11-12H2/b14-10-
InChIKeyFTVXFVMMGZDGAR-UVTDQMKNSA-N
MW260.40 g/mol
LogP3.93
Rot. Bonds3

About (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane

(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane (PubChem CID 177432838) has the molecular formula C16H20OS and a molecular weight of 260.40 g/mol. Its IUPAC name is (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane.

Molecular Properties

Compound Name(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane
PubChem CID177432838
Molecular FormulaC16H20OS
Molecular Weight260.40 g/mol
Exact Mass260.12
IUPAC Name(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane
SMILESO=S(C/C=C1/CC2CCCCC12)c1ccccc1
InChIInChI=1S/C16H20OS/c17-18(15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)14/h1-3,7-8,10,13,16H,4-6,9,11-12H2/b14-10-
InChIKeyFTVXFVMMGZDGAR-UVTDQMKNSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.93
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 (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane?
The IUPAC name of (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane (CID 177432838) is (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane.
What is the SMILES notation for (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane?
The canonical SMILES for (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane is O=S(C/C=C1/CC2CCCCC12)c1ccccc1.
What is the InChIKey of (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane?
The InChIKey is FTVXFVMMGZDGAR-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H20OS/c17-18(15-7-2-1-3-8-15)11-10-14-12-13-6-4-5-9-16(13)14/h1-3,7-8,10,13,16H,4-6,9,11-12H2/b14-10-.
What are the key properties of (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane?
(7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane has a molecular weight of 260.40 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-[2-(benzenesulfinyl)ethylidene]bicyclo[4.2.0]octane is sourced from PubChem (CID 177432838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).