[(E)-tridec-6-en-6-yl]sulfanylbenzene

C19H30S — CID 102371655

IUPAC[(E)-tridec-6-en-6-yl]sulfanylbenzene
SMILESCCCCCC/C=C(\CCCCC)Sc1ccccc1
InChIInChI=1S/C19H30S/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,15-17H,3-8,10-11,14H2,1-2H3/b18-15+
InChIKeyYCMOWQULMJIDEO-OBGWFSINSA-N
MW290.52 g/mol
LogP7.21
Rot. Bonds11

About [(E)-tridec-6-en-6-yl]sulfanylbenzene

[(E)-tridec-6-en-6-yl]sulfanylbenzene (PubChem CID 102371655) has the molecular formula C19H30S and a molecular weight of 290.52 g/mol. Its IUPAC name is [(E)-tridec-6-en-6-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-tridec-6-en-6-yl]sulfanylbenzene
PubChem CID102371655
Molecular FormulaC19H30S
Molecular Weight290.52 g/mol
Exact Mass290.21
IUPAC Name[(E)-tridec-6-en-6-yl]sulfanylbenzene
SMILESCCCCCC/C=C(\CCCCC)Sc1ccccc1
InChIInChI=1S/C19H30S/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,15-17H,3-8,10-11,14H2,1-2H3/b18-15+
InChIKeyYCMOWQULMJIDEO-OBGWFSINSA-N
XLogP7.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.52
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
(E)-3-phenylsulfanyldec-2-enal
CID 15529409
1-chlorooct-1-enylsulfanylbenzene
CID 73098028
[(Z)-1-phenylsulfanylundec-1-enyl]benzene
CID 134932780
[(Z)-1-phenylhept-1-enyl]sulfanylbenzene
CID 10924031
1-chloro-4-[(Z)-1-phenylsulfanyldec-1-en-2-yl]sulfanylbenzene
CID 134935365
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
octadec-2-enylsulfanylbenzene
CID 54280562
(Z)-10-[(Z)-1-carboxyheptadec-8-en-9-yl]sulfanyloctadec-9-enoic acid
CID 102060503
(5Z,7Z)-5,8-bis(phenylsulfanyl)dodeca-5,7-diene-1,12-diol
CID 102303025

Frequently Asked Questions

What is the IUPAC name of [(E)-tridec-6-en-6-yl]sulfanylbenzene?
The IUPAC name of [(E)-tridec-6-en-6-yl]sulfanylbenzene (CID 102371655) is [(E)-tridec-6-en-6-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-tridec-6-en-6-yl]sulfanylbenzene?
The canonical SMILES for [(E)-tridec-6-en-6-yl]sulfanylbenzene is CCCCCC/C=C(\CCCCC)Sc1ccccc1.
What is the InChIKey of [(E)-tridec-6-en-6-yl]sulfanylbenzene?
The InChIKey is YCMOWQULMJIDEO-OBGWFSINSA-N. The full InChI is InChI=1S/C19H30S/c1-3-5-7-8-11-15-18(14-10-6-4-2)20-19-16-12-9-13-17-19/h9,12-13,15-17H,3-8,10-11,14H2,1-2H3/b18-15+.
What are the key properties of [(E)-tridec-6-en-6-yl]sulfanylbenzene?
[(E)-tridec-6-en-6-yl]sulfanylbenzene has a molecular weight of 290.52 g/mol, XLogP of 7.21, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tridec-6-en-6-yl]sulfanylbenzene is sourced from PubChem (CID 102371655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).