5-(6-iodohexoxymethyl)cyclopenta-1,3-diene

C12H19IO — CID 102072853

IUPAC5-(6-iodohexoxymethyl)cyclopenta-1,3-diene
SMILESICCCCCCOCC1C=CC=C1
InChIInChI=1S/C12H19IO/c13-9-5-1-2-6-10-14-11-12-7-3-4-8-12/h3-4,7-8,12H,1-2,5-6,9-11H2
InChIKeyKFBUMJKYZHSUII-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.74
Rot. Bonds8

About 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene

5-(6-iodohexoxymethyl)cyclopenta-1,3-diene (PubChem CID 102072853) has the molecular formula C12H19IO and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(6-iodohexoxymethyl)cyclopenta-1,3-diene
PubChem CID102072853
Molecular FormulaC12H19IO
Molecular Weight306.19 g/mol
Exact Mass306.05
IUPAC Name5-(6-iodohexoxymethyl)cyclopenta-1,3-diene
SMILESICCCCCCOCC1C=CC=C1
InChIInChI=1S/C12H19IO/c13-9-5-1-2-6-10-14-11-12-7-3-4-8-12/h3-4,7-8,12H,1-2,5-6,9-11H2
InChIKeyKFBUMJKYZHSUII-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene?
The IUPAC name of 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene (CID 102072853) is 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene?
The canonical SMILES for 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene is ICCCCCCOCC1C=CC=C1.
What is the InChIKey of 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene?
The InChIKey is KFBUMJKYZHSUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IO/c13-9-5-1-2-6-10-14-11-12-7-3-4-8-12/h3-4,7-8,12H,1-2,5-6,9-11H2.
What are the key properties of 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene?
5-(6-iodohexoxymethyl)cyclopenta-1,3-diene has a molecular weight of 306.19 g/mol, XLogP of 3.74, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-iodohexoxymethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 102072853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).