cyclohexadeca-2,4-dien-1-one

C16H26O — CID 154444863

IUPACcyclohexadeca-2,4-dien-1-one
SMILESO=C1C=CC=CCCCCCCCCCCC1
InChIInChI=1S/C16H26O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h8,10,12,14H,1-7,9,11,13,15H2
InChIKeyLVTZGIRYZCYATB-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.97
Rot. Bonds

About cyclohexadeca-2,4-dien-1-one

cyclohexadeca-2,4-dien-1-one (PubChem CID 154444863) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is cyclohexadeca-2,4-dien-1-one.

Molecular Properties

Compound Namecyclohexadeca-2,4-dien-1-one
PubChem CID154444863
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Namecyclohexadeca-2,4-dien-1-one
SMILESO=C1C=CC=CCCCCCCCCCCC1
InChIInChI=1S/C16H26O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h8,10,12,14H,1-7,9,11,13,15H2
InChIKeyLVTZGIRYZCYATB-UHFFFAOYSA-N
XLogP4.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
CID 144676209
(2E,8E)-cycloicosa-2,8-diene-1,10-dione
CID 10149582
(2E)-cyclooct-2-en-1-one
CID 12579018
(9E,21E)-cyclodocosa-9,21-diene-1,8-dione
CID 10193416
(2E)-cyclononadec-2-en-1-one
CID 171377738
(2Z,7Z)-cyclononadeca-2,7-diene-1,9-dione
CID 23567733
(2E,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 58620253
(2Z,6E)-cyclooctadeca-2,6-diene-1,8-dione
CID 23567736
(8Z)-cycloheptadec-8-ene-1,2-dione
CID 70189599
(3E,5Z)-1-oxacyclohexadeca-3,5-dien-2-one
CID 134967499
(3Z,5Z)-1-oxacycloundeca-3,5-dien-2-one
CID 143960965
(1E,3E)-cycloundeca-1,3-diene
CID 12636669

Frequently Asked Questions

What is the IUPAC name of cyclohexadeca-2,4-dien-1-one?
The IUPAC name of cyclohexadeca-2,4-dien-1-one (CID 154444863) is cyclohexadeca-2,4-dien-1-one.
What is the SMILES notation for cyclohexadeca-2,4-dien-1-one?
The canonical SMILES for cyclohexadeca-2,4-dien-1-one is O=C1C=CC=CCCCCCCCCCCC1.
What is the InChIKey of cyclohexadeca-2,4-dien-1-one?
The InChIKey is LVTZGIRYZCYATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h8,10,12,14H,1-7,9,11,13,15H2.
What are the key properties of cyclohexadeca-2,4-dien-1-one?
cyclohexadeca-2,4-dien-1-one has a molecular weight of 234.38 g/mol, XLogP of 4.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexadeca-2,4-dien-1-one is sourced from PubChem (CID 154444863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).