1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene

C17H28 — CID 123240339

IUPAC1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1CCCCCCCCC(C)C
InChIInChI=1S/C17H28/c1-15(2)11-8-6-4-5-7-9-13-17-14-10-12-16(17)3/h10,12,14-15H,3-9,11,13H2,1-2H3
InChIKeyZBOICBGEWWBEEW-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.82
Rot. Bonds9

About 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene

1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene (PubChem CID 123240339) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene
PubChem CID123240339
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Name1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1CCCCCCCCC(C)C
InChIInChI=1S/C17H28/c1-15(2)11-8-6-4-5-7-9-13-17-14-10-12-16(17)3/h10,12,14-15H,3-9,11,13H2,1-2H3
InChIKeyZBOICBGEWWBEEW-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene (CID 123240339) is 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene is C=C1C=CC=C1CCCCCCCCC(C)C.
What is the InChIKey of 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene?
The InChIKey is ZBOICBGEWWBEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-15(2)11-8-6-4-5-7-9-13-17-14-10-12-16(17)3/h10,12,14-15H,3-9,11,13H2,1-2H3.
What are the key properties of 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene?
1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene has a molecular weight of 232.41 g/mol, XLogP of 5.82, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyldecyl)-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 123240339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).