5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene

C19H28OS — CID 123375373

IUPAC5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene
SMILESCCCSC(C)=c1ccccc1=C(C)OC1CCCCC1
InChIInChI=1S/C19H28OS/c1-4-14-21-16(3)19-13-9-8-12-18(19)15(2)20-17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3
InChIKeyWPULCEWLPLWALS-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.44
Rot. Bonds5

About 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene

5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene (PubChem CID 123375373) has the molecular formula C19H28OS and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene
PubChem CID123375373
Molecular FormulaC19H28OS
Molecular Weight304.50 g/mol
Exact Mass304.19
IUPAC Name5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene
SMILESCCCSC(C)=c1ccccc1=C(C)OC1CCCCC1
InChIInChI=1S/C19H28OS/c1-4-14-21-16(3)19-13-9-8-12-18(19)15(2)20-17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3
InChIKeyWPULCEWLPLWALS-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxy-4-(2-propan-2-yloxypropylsulfanyl)-2,3-dihydronaphthalene
CID 90005449
1-[2-(2-Methylpropylsulfanyl)propan-2-yl]-4-propan-2-yloxycyclohexa-1,3-diene
CID 91362396
5-(1-Butoxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene
CID 123377328
4-(4-Methoxy-2,3-dihydronaphthalen-1-yl)-2,6-dimethyl-1,4-oxathian-4-ium
CID 144582741

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene?
The IUPAC name of 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene (CID 123375373) is 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene.
What is the SMILES notation for 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene?
The canonical SMILES for 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene is CCCSC(C)=c1ccccc1=C(C)OC1CCCCC1.
What is the InChIKey of 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene?
The InChIKey is WPULCEWLPLWALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28OS/c1-4-14-21-16(3)19-13-9-8-12-18(19)15(2)20-17-10-6-5-7-11-17/h8-9,12-13,17H,4-7,10-11,14H2,1-3H3.
What are the key properties of 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene?
5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene has a molecular weight of 304.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyloxyethylidene)-6-(1-propylsulfanylethylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 123375373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).