(4E,10E)-cyclotetradeca-4,10-dien-1-one

C14H22O — CID 21249531

IUPAC(4E,10E)-cyclotetradeca-4,10-dien-1-one
SMILESO=C1CC/C=C/CCCC/C=C/CCC1
InChIInChI=1S/C14H22O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h4,6-7,9H,1-3,5,8,10-13H2/b6-4+,9-7+
InChIKeyMBGSRIVKHHDAOF-ADIUVMHLSA-N
MW206.33 g/mol
LogP4.19
Rot. Bonds

About (4E,10E)-cyclotetradeca-4,10-dien-1-one

(4E,10E)-cyclotetradeca-4,10-dien-1-one (PubChem CID 21249531) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (4E,10E)-cyclotetradeca-4,10-dien-1-one.

Molecular Properties

Compound Name(4E,10E)-cyclotetradeca-4,10-dien-1-one
PubChem CID21249531
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(4E,10E)-cyclotetradeca-4,10-dien-1-one
SMILESO=C1CC/C=C/CCCC/C=C/CCC1
InChIInChI=1S/C14H22O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h4,6-7,9H,1-3,5,8,10-13H2/b6-4+,9-7+
InChIKeyMBGSRIVKHHDAOF-ADIUVMHLSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.19
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 (4E,10E)-cyclotetradeca-4,10-dien-1-one?
The IUPAC name of (4E,10E)-cyclotetradeca-4,10-dien-1-one (CID 21249531) is (4E,10E)-cyclotetradeca-4,10-dien-1-one.
What is the SMILES notation for (4E,10E)-cyclotetradeca-4,10-dien-1-one?
The canonical SMILES for (4E,10E)-cyclotetradeca-4,10-dien-1-one is O=C1CC/C=C/CCCC/C=C/CCC1.
What is the InChIKey of (4E,10E)-cyclotetradeca-4,10-dien-1-one?
The InChIKey is MBGSRIVKHHDAOF-ADIUVMHLSA-N. The full InChI is InChI=1S/C14H22O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h4,6-7,9H,1-3,5,8,10-13H2/b6-4+,9-7+.
What are the key properties of (4E,10E)-cyclotetradeca-4,10-dien-1-one?
(4E,10E)-cyclotetradeca-4,10-dien-1-one has a molecular weight of 206.33 g/mol, XLogP of 4.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,10E)-cyclotetradeca-4,10-dien-1-one is sourced from PubChem (CID 21249531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).