2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one

C15H24O — CID 6437428

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O
InChIInChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+
InChIKeyZNSALEJHPSBXDK-JLHYYAGUSA-N
MW220.36 g/mol
LogP4.44
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one

2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one (PubChem CID 6437428) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
PubChem CID6437428
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one
SMILESCC(C)=CCC/C(C)=C/CC1CCCC1=O
InChIInChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+
InChIKeyZNSALEJHPSBXDK-JLHYYAGUSA-N
XLogP4.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one (CID 6437428) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one is CC(C)=CCC/C(C)=C/CC1CCCC1=O.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
The InChIKey is ZNSALEJHPSBXDK-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H24O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,10,14H,4-5,7-9,11H2,1-3H3/b13-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one has a molecular weight of 220.36 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentan-1-one is sourced from PubChem (CID 6437428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).