[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite

C10H15FS — CID 143597734

IUPAC[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
SMILESCC/C=C(C)\C=C(C)/C=C/SF
InChIInChI=1S/C10H15FS/c1-4-5-9(2)8-10(3)6-7-12-11/h5-8H,4H2,1-3H3/b7-6+,9-5-,10-8-
InChIKeyPXQJPBHXTCOCNX-YNEORXBLSA-N
MW186.29 g/mol
LogP4.42
Rot. Bonds4

About [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite

[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite (PubChem CID 143597734) has the molecular formula C10H15FS and a molecular weight of 186.29 g/mol. Its IUPAC name is [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite.

Molecular Properties

Compound Name[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
PubChem CID143597734
Molecular FormulaC10H15FS
Molecular Weight186.29 g/mol
Exact Mass186.09
IUPAC Name[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite
SMILESCC/C=C(C)\C=C(C)/C=C/SF
InChIInChI=1S/C10H15FS/c1-4-5-9(2)8-10(3)6-7-12-11/h5-8H,4H2,1-3H3/b7-6+,9-5-,10-8-
InChIKeyPXQJPBHXTCOCNX-YNEORXBLSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Propenyl-1-propenyl disulfide
CID 129712287
(3E)-6-fluoro-3-methylhepta-3,5-dienethial
CID 123390603
2-Ethenylidene-4,6-difluorohepta-3,5-diene-1-thiol
CID 123538472
[(1Z,3Z)-3-propan-2-ylhexa-1,3,5-trienyl] thiohypofluorite
CID 129146729
Pentafluoro-(4-methylcyclohexa-2,4-dien-1-yl)-lambda6-sulfane
CID 134405226
[(3E)-4-methylhexa-1,3-dien-3-yl] thiohypofluorite
CID 137511422
(5-Methylcyclohepta-1,4,6-trien-1-yl) thiohypofluorite
CID 141805829
[(2E,4Z)-2-ethenylhepta-2,4-dienyl] thiohypofluorite
CID 141824765
[(3E,5Z)-6-methylocta-1,3,5-trien-3-yl] thiohypofluorite
CID 142113091
[(1E,3Z,5Z)-4-ethylhepta-1,3,5-trienyl] thiohypofluorite
CID 142113242
[(3Z)-3,5-dimethylhexa-1,3,5-trien-2-yl]-trifluoro-lambda4-sulfane
CID 143617726
[(3E,5Z)-5-methylhepta-1,3,5-trien-3-yl] thiohypofluorite
CID 143818483

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite?
The IUPAC name of [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite (CID 143597734) is [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite.
What is the SMILES notation for [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite?
The canonical SMILES for [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite is CC/C=C(C)\C=C(C)/C=C/SF.
What is the InChIKey of [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite?
The InChIKey is PXQJPBHXTCOCNX-YNEORXBLSA-N. The full InChI is InChI=1S/C10H15FS/c1-4-5-9(2)8-10(3)6-7-12-11/h5-8H,4H2,1-3H3/b7-6+,9-5-,10-8-.
What are the key properties of [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite?
[(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite has a molecular weight of 186.29 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z,5Z)-3,5-dimethylocta-1,3,5-trienyl] thiohypofluorite is sourced from PubChem (CID 143597734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).