[(Z)-nonadec-9-en-9-yl]sulfanylbenzene

C25H42S — CID 100973714

IUPAC[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
SMILESCCCCCCCCC/C=C(/CCCCCCCC)Sc1ccccc1
InChIInChI=1S/C25H42S/c1-3-5-7-9-11-12-14-17-21-24(20-16-13-10-8-6-4-2)26-25-22-18-15-19-23-25/h15,18-19,21-23H,3-14,16-17,20H2,1-2H3/b24-21-
InChIKeyOJKNTLKWAMQXSW-FLFQWRMESA-N
MW374.68 g/mol
LogP9.55
Rot. Bonds17

About [(Z)-nonadec-9-en-9-yl]sulfanylbenzene

[(Z)-nonadec-9-en-9-yl]sulfanylbenzene (PubChem CID 100973714) has the molecular formula C25H42S and a molecular weight of 374.68 g/mol. Its IUPAC name is [(Z)-nonadec-9-en-9-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
PubChem CID100973714
Molecular FormulaC25H42S
Molecular Weight374.68 g/mol
Exact Mass374.30
IUPAC Name[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
SMILESCCCCCCCCC/C=C(/CCCCCCCC)Sc1ccccc1
InChIInChI=1S/C25H42S/c1-3-5-7-9-11-12-14-17-21-24(20-16-13-10-8-6-4-2)26-25-22-18-15-19-23-25/h15,18-19,21-23H,3-14,16-17,20H2,1-2H3/b24-21-
InChIKeyOJKNTLKWAMQXSW-FLFQWRMESA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.68
LogP ≤ 59.55
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

[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
[(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 [(Z)-nonadec-9-en-9-yl]sulfanylbenzene?
The IUPAC name of [(Z)-nonadec-9-en-9-yl]sulfanylbenzene (CID 100973714) is [(Z)-nonadec-9-en-9-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-nonadec-9-en-9-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-nonadec-9-en-9-yl]sulfanylbenzene is CCCCCCCCC/C=C(/CCCCCCCC)Sc1ccccc1.
What is the InChIKey of [(Z)-nonadec-9-en-9-yl]sulfanylbenzene?
The InChIKey is OJKNTLKWAMQXSW-FLFQWRMESA-N. The full InChI is InChI=1S/C25H42S/c1-3-5-7-9-11-12-14-17-21-24(20-16-13-10-8-6-4-2)26-25-22-18-15-19-23-25/h15,18-19,21-23H,3-14,16-17,20H2,1-2H3/b24-21-.
What are the key properties of [(Z)-nonadec-9-en-9-yl]sulfanylbenzene?
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene has a molecular weight of 374.68 g/mol, XLogP of 9.55, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-nonadec-9-en-9-yl]sulfanylbenzene is sourced from PubChem (CID 100973714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).