1-(5-iodothiophen-3-yl)oct-7-en-1-one

C12H15IOS — CID 107011173

IUPAC1-(5-iodothiophen-3-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1csc(I)c1
InChIInChI=1S/C12H15IOS/c1-2-3-4-5-6-7-11(14)10-8-12(13)15-9-10/h2,8-9H,1,3-7H2
InChIKeyJNPPWFPJWQZLNV-UHFFFAOYSA-N
MW334.22 g/mol
LogP4.67
Rot. Bonds7

About 1-(5-iodothiophen-3-yl)oct-7-en-1-one

1-(5-iodothiophen-3-yl)oct-7-en-1-one (PubChem CID 107011173) has the molecular formula C12H15IOS and a molecular weight of 334.22 g/mol. Its IUPAC name is 1-(5-iodothiophen-3-yl)oct-7-en-1-one.

Molecular Properties

Compound Name1-(5-iodothiophen-3-yl)oct-7-en-1-one
PubChem CID107011173
Molecular FormulaC12H15IOS
Molecular Weight334.22 g/mol
Exact Mass333.99
IUPAC Name1-(5-iodothiophen-3-yl)oct-7-en-1-one
SMILESC=CCCCCCC(=O)c1csc(I)c1
InChIInChI=1S/C12H15IOS/c1-2-3-4-5-6-7-11(14)10-8-12(13)15-9-10/h2,8-9H,1,3-7H2
InChIKeyJNPPWFPJWQZLNV-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)decan-1-one
CID 114966470
CID 10950068
CID 10950068
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(3-bromothiophen-2-yl)oct-7-en-1-one
CID 107011112
1-(furan-3-yl)oct-7-en-1-one
CID 107008234
N-(2-but-3-enoxyethyl)-5-iodothiophene-3-carboxamide
CID 103855719
1-(4-amino-3-chlorophenyl)oct-7-en-1-one
CID 107010902
1-(4-methylthiophen-3-yl)oct-7-en-1-one
CID 107008331
1-[2-(aminomethyl)-1,3-thiazol-4-yl]oct-7-en-1-one
CID 107010913
1-(1-benzothiophen-3-yl)oct-7-en-1-one
CID 107011236
1-(3,5-dibromophenyl)hex-5-en-1-one
CID 107976917

Frequently Asked Questions

What is the IUPAC name of 1-(5-iodothiophen-3-yl)oct-7-en-1-one?
The IUPAC name of 1-(5-iodothiophen-3-yl)oct-7-en-1-one (CID 107011173) is 1-(5-iodothiophen-3-yl)oct-7-en-1-one.
What is the SMILES notation for 1-(5-iodothiophen-3-yl)oct-7-en-1-one?
The canonical SMILES for 1-(5-iodothiophen-3-yl)oct-7-en-1-one is C=CCCCCCC(=O)c1csc(I)c1.
What is the InChIKey of 1-(5-iodothiophen-3-yl)oct-7-en-1-one?
The InChIKey is JNPPWFPJWQZLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IOS/c1-2-3-4-5-6-7-11(14)10-8-12(13)15-9-10/h2,8-9H,1,3-7H2.
What are the key properties of 1-(5-iodothiophen-3-yl)oct-7-en-1-one?
1-(5-iodothiophen-3-yl)oct-7-en-1-one has a molecular weight of 334.22 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-iodothiophen-3-yl)oct-7-en-1-one is sourced from PubChem (CID 107011173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).