(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione

C16H24O2 — CID 10966868

IUPAC(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione
SMILESC/C1=C\C(=O)CCCCCC(=O)CC/C=C/CC1
InChIInChI=1S/C16H24O2/c1-14-9-5-2-3-6-10-15(17)11-7-4-8-12-16(18)13-14/h2-3,13H,4-12H2,1H3/b3-2+,14-13+
InChIKeyKYIDLAYCVPEFGM-MHKLCKLJSA-N
MW248.37 g/mol
LogP4.15
Rot. Bonds

About (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione

(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione (PubChem CID 10966868) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione.

Molecular Properties

Compound Name(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione
PubChem CID10966868
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione
SMILESC/C1=C\C(=O)CCCCCC(=O)CC/C=C/CC1
InChIInChI=1S/C16H24O2/c1-14-9-5-2-3-6-10-15(17)11-7-4-8-12-16(18)13-14/h2-3,13H,4-12H2,1H3/b3-2+,14-13+
InChIKeyKYIDLAYCVPEFGM-MHKLCKLJSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cycloheptadec-4-en-1-one
CID 69002216
cyclohexanone;cyclohexene
CID 67659841
(10Z)-cycloicos-10-en-1-one
CID 11254844
(4E,10E)-cyclotetradeca-4,10-dien-1-one
CID 21249531
(5E)-cycloheptadec-5-en-1-one
CID 13199934
3-methylcyclopent-2-en-1-one
CID 162114643
(6E,10Z)-cyclopentadeca-6,10-dien-1-one
CID 12036583
cycloheptanone;cyclohexanone;cyclopentanone;ethane
CID 158721030
cyclotricosanone
CID 54375596
cyclododecanone
CID 141308130
azane;cyclohexanone;ethane
CID 174919946
(5E)-5-methylcyclodec-5-en-1-one
CID 91999236

Frequently Asked Questions

What is the IUPAC name of (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione?
The IUPAC name of (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione (CID 10966868) is (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione.
What is the SMILES notation for (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione?
The canonical SMILES for (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione is C/C1=C\C(=O)CCCCCC(=O)CC/C=C/CC1.
What is the InChIKey of (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione?
The InChIKey is KYIDLAYCVPEFGM-MHKLCKLJSA-N. The full InChI is InChI=1S/C16H24O2/c1-14-9-5-2-3-6-10-15(17)11-7-4-8-12-16(18)13-14/h2-3,13H,4-12H2,1H3/b3-2+,14-13+.
What are the key properties of (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione?
(8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione has a molecular weight of 248.37 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8E,12E)-9-methylcyclopentadeca-8,12-diene-1,7-dione is sourced from PubChem (CID 10966868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).