1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone

C14H22O — CID 15875364

IUPAC1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
SMILESCC(=O)C1CC/C=C/CC/C=C/CCC1
InChIInChI=1S/C14H22O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6+
InChIKeyKYDAXKKZODJARP-QFXXITGJSA-N
MW206.33 g/mol
LogP4.05
Rot. Bonds1

About 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone

1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone (PubChem CID 15875364) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
PubChem CID15875364
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone
SMILESCC(=O)C1CC/C=C/CC/C=C/CCC1
InChIInChI=1S/C14H22O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6+
InChIKeyKYDAXKKZODJARP-QFXXITGJSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.05
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

1-cyclooct-3-en-1-ylethanone
CID 66747175
1-[(1R,3Z)-cyclooct-3-en-1-yl]ethanone
CID 175990240
1-[(1R)-cyclohex-3-en-1-yl]ethanone
CID 15562643
1-cyclopentylethanone;propane
CID 145026358
1-[(4Z)-cyclooct-4-en-1-yl]-3,3-dimethylbutan-1-one
CID 58281125
1-cyclopentadec-7-en-1-ylethanone;1-cyclopentadec-8-en-1-ylethanone;2-diazocyclohexadec-8-en-1-one;16-diazocyclohexadec-8-en-1-one
CID 161178366
1-(1-cyclohex-2-en-1-ylpiperidin-4-yl)ethanone
CID 114620010
CID 88741399
CID 88741399
acetylene;1-cyclohexylethanone;prop-1-yne
CID 143179551
acetaldehyde;1-cyclohexylethanone;ethane
CID 145408304
[(4Z)-cyclooct-4-en-1-yl]-phenylmethanone
CID 177309073
carbon monoxide;chromium;cobalt;1-cyclopentylethanone;iron;sulfanide
CID 23232725

Frequently Asked Questions

What is the IUPAC name of 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone?
The IUPAC name of 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone (CID 15875364) is 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone.
What is the SMILES notation for 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone?
The canonical SMILES for 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone is CC(=O)C1CC/C=C/CC/C=C/CCC1.
What is the InChIKey of 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone?
The InChIKey is KYDAXKKZODJARP-QFXXITGJSA-N. The full InChI is InChI=1S/C14H22O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h3,5-6,8,14H,2,4,7,9-12H2,1H3/b5-3+,8-6+.
What are the key properties of 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone?
1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone has a molecular weight of 206.33 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E,8E)-cyclododeca-4,8-dien-1-yl]ethanone is sourced from PubChem (CID 15875364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).