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

C15H22O — CID 132508959

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one
SMILESCC(C)=CCC/C(C)=C/CC1=CCCC1=O
InChIInChI=1S/C15H22O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-10+
InChIKeyHXAURIFESGFIRD-JLHYYAGUSA-N
MW218.34 g/mol
LogP4.36
Rot. Bonds5

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

2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one (PubChem CID 132508959) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one
PubChem CID132508959
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one
SMILESCC(C)=CCC/C(C)=C/CC1=CCCC1=O
InChIInChI=1S/C15H22O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-10+
InChIKeyHXAURIFESGFIRD-JLHYYAGUSA-N
XLogP4.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione
CID 163080709
6,7-dimethyl-2-(3,7,11-trimethyldodeca-2,6,10-trienyl)naphthalene-1,4-dione
CID 57091403
2-methoxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
CID 11724955
[4,5-dihydroxy-2-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)phenyl] acetate
CID 139711959
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
2,3-bis[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-dione
CID 53361119
3-[(2E)-3,7-dimethylocta-2,6-dienyl]azepin-2-one
CID 141073448
2,3-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]naphthalene-1,4-dione
CID 53363554
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6E)-2,6-dimethylocta-2,6-diene
CID 5365898
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one (CID 132508959) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one is CC(C)=CCC/C(C)=C/CC1=CCCC1=O.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one?
The InChIKey is HXAURIFESGFIRD-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H22O/c1-12(2)6-4-7-13(3)10-11-14-8-5-9-15(14)16/h6,8,10H,4-5,7,9,11H2,1-3H3/b13-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopent-2-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.36, 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]cyclopent-2-en-1-one is sourced from PubChem (CID 132508959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).