(Z)-1-butylsulfanyldec-1-en-3-yne

C14H24S — CID 102456339

IUPAC(Z)-1-butylsulfanyldec-1-en-3-yne
SMILESCCCCCCC#C/C=C\SCCCC
InChIInChI=1S/C14H24S/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h12,14H,3-9,13H2,1-2H3/b14-12-
InChIKeyPJROMBGEMOAQNN-OWBHPGMISA-N
MW224.41 g/mol
LogP5.01
Rot. Bonds8

About (Z)-1-butylsulfanyldec-1-en-3-yne

(Z)-1-butylsulfanyldec-1-en-3-yne (PubChem CID 102456339) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is (Z)-1-butylsulfanyldec-1-en-3-yne.

Molecular Properties

Compound Name(Z)-1-butylsulfanyldec-1-en-3-yne
PubChem CID102456339
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name(Z)-1-butylsulfanyldec-1-en-3-yne
SMILESCCCCCCC#C/C=C\SCCCC
InChIInChI=1S/C14H24S/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h12,14H,3-9,13H2,1-2H3/b14-12-
InChIKeyPJROMBGEMOAQNN-OWBHPGMISA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-chlorodec-1-en-3-yne
CID 124646971
(Z)-heptadec-3-en-5-yne
CID 5367448
dec-2-en-4-yne
CID 54142868
(Z)-heptadec-8-en-6-yne
CID 101260338
1-iodonon-1-en-3-yne
CID 71425479
(E)-undec-3-en-5-yne
CID 5367449
(Z)-tetradec-6-en-4,8-diyn-1-ol
CID 100971906
henicos-8-yne
CID 22224321
(E)-tridec-4-en-6-yn-1-ol
CID 15420486
(3Z)-2-methylundeca-1,3-dien-5-yne
CID 102067427
(E)-non-2-en-4-yne
CID 5367387
dodec-1-yne-1-thiol
CID 21451189

Frequently Asked Questions

What is the IUPAC name of (Z)-1-butylsulfanyldec-1-en-3-yne?
The IUPAC name of (Z)-1-butylsulfanyldec-1-en-3-yne (CID 102456339) is (Z)-1-butylsulfanyldec-1-en-3-yne.
What is the SMILES notation for (Z)-1-butylsulfanyldec-1-en-3-yne?
The canonical SMILES for (Z)-1-butylsulfanyldec-1-en-3-yne is CCCCCCC#C/C=C\SCCCC.
What is the InChIKey of (Z)-1-butylsulfanyldec-1-en-3-yne?
The InChIKey is PJROMBGEMOAQNN-OWBHPGMISA-N. The full InChI is InChI=1S/C14H24S/c1-3-5-7-8-9-10-11-12-14-15-13-6-4-2/h12,14H,3-9,13H2,1-2H3/b14-12-.
What are the key properties of (Z)-1-butylsulfanyldec-1-en-3-yne?
(Z)-1-butylsulfanyldec-1-en-3-yne has a molecular weight of 224.41 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-butylsulfanyldec-1-en-3-yne is sourced from PubChem (CID 102456339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).