5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene

C17H22 — CID 143345924

IUPAC5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene
SMILESC=CC(=C)/C=C(\C(=C)CC)C1C=CC(C)=C1C
InChIInChI=1S/C17H22/c1-7-12(3)11-17(13(4)8-2)16-10-9-14(5)15(16)6/h7,9-11,16H,1,3-4,8H2,2,5-6H3/b17-11-
InChIKeyGSNWRLLKARVAHC-BOPFTXTBSA-N
MW226.36 g/mol
LogP5.14
Rot. Bonds5

About 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene

5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene (PubChem CID 143345924) has the molecular formula C17H22 and a molecular weight of 226.36 g/mol. Its IUPAC name is 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene
PubChem CID143345924
Molecular FormulaC17H22
Molecular Weight226.36 g/mol
Exact Mass226.17
IUPAC Name5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene
SMILESC=CC(=C)/C=C(\C(=C)CC)C1C=CC(C)=C1C
InChIInChI=1S/C17H22/c1-7-12(3)11-17(13(4)8-2)16-10-9-14(5)15(16)6/h7,9-11,16H,1,3-4,8H2,2,5-6H3/b17-11-
InChIKeyGSNWRLLKARVAHC-BOPFTXTBSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene?
The IUPAC name of 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene (CID 143345924) is 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene is C=CC(=C)/C=C(\C(=C)CC)C1C=CC(C)=C1C.
What is the InChIKey of 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene?
The InChIKey is GSNWRLLKARVAHC-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H22/c1-7-12(3)11-17(13(4)8-2)16-10-9-14(5)15(16)6/h7,9-11,16H,1,3-4,8H2,2,5-6H3/b17-11-.
What are the key properties of 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene?
5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene has a molecular weight of 226.36 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4E)-3,6-dimethylideneocta-4,7-dien-4-yl]-1,2-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 143345924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).