[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene

C14H16OS — CID 10561573

IUPAC[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene
SMILESC=C1CCCC/C1=C\S(=O)c1ccccc1
InChIInChI=1S/C14H16OS/c1-12-7-5-6-8-13(12)11-16(15)14-9-3-2-4-10-14/h2-4,9-11H,1,5-8H2/b13-11+
InChIKeyOEUQEVUDGVSMFI-ACCUITESSA-N
MW232.35 g/mol
LogP3.81
Rot. Bonds2

About [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene

[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene (PubChem CID 10561573) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene.

Molecular Properties

Compound Name[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene
PubChem CID10561573
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene
SMILESC=C1CCCC/C1=C\S(=O)c1ccccc1
InChIInChI=1S/C14H16OS/c1-12-7-5-6-8-13(12)11-16(15)14-9-3-2-4-10-14/h2-4,9-11H,1,5-8H2/b13-11+
InChIKeyOEUQEVUDGVSMFI-ACCUITESSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[(S)-[(Z)-3,3,3-trifluoroprop-1-enyl]sulfinyl]benzene
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1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
CID 102303456
(1E)-1-ethylidene-2-methylidenecyclopentane
CID 142947641
1-[2-(benzenesulfinyl)-1-iodoethenyl]cyclohexan-1-ol
CID 71360128
[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
4-(benzenesulfinyl)buta-1,3-dienylbenzene
CID 72756067
3-(benzenesulfinyl)propa-1,2-dienylbenzene
CID 71447124
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CID 54435583
1-(benzenesulfinyl)ethenylsulfinylbenzene
CID 19348887

Frequently Asked Questions

What is the IUPAC name of [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene?
The IUPAC name of [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene (CID 10561573) is [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene.
What is the SMILES notation for [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene?
The canonical SMILES for [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene is C=C1CCCC/C1=C\S(=O)c1ccccc1.
What is the InChIKey of [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene?
The InChIKey is OEUQEVUDGVSMFI-ACCUITESSA-N. The full InChI is InChI=1S/C14H16OS/c1-12-7-5-6-8-13(12)11-16(15)14-9-3-2-4-10-14/h2-4,9-11H,1,5-8H2/b13-11+.
What are the key properties of [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene?
[(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene has a molecular weight of 232.35 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(2-methylidenecyclohexylidene)methyl]sulfinylbenzene is sourced from PubChem (CID 10561573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).