cyclotetradeca-2,4,8,12-tetraen-1-one

C14H18O — CID 151266778

IUPACcyclotetradeca-2,4,8,12-tetraen-1-one
SMILESO=C1C=CC=CCCC=CCCC=CC1
InChIInChI=1S/C14H18O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-2,7-11,13H,3-6,12H2
InChIKeyNVNAQBJCTIEYDU-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.74
Rot. Bonds

About cyclotetradeca-2,4,8,12-tetraen-1-one

cyclotetradeca-2,4,8,12-tetraen-1-one (PubChem CID 151266778) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is cyclotetradeca-2,4,8,12-tetraen-1-one.

Molecular Properties

Compound Namecyclotetradeca-2,4,8,12-tetraen-1-one
PubChem CID151266778
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Namecyclotetradeca-2,4,8,12-tetraen-1-one
SMILESO=C1C=CC=CCCC=CCCC=CC1
InChIInChI=1S/C14H18O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-2,7-11,13H,3-6,12H2
InChIKeyNVNAQBJCTIEYDU-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.74
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

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(1Z,3Z)-cyclodeca-1,3,7-triene
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(7E,11Z)-cyclotetradeca-1,3,7,11-tetraene
CID 173030521
cyclohexadeca-2,4-dien-1-one
CID 154444863
(2Z,4Z,12Z,14Z)-cyclooctadeca-2,4,12,14-tetraen-1-one
CID 144676209
(5E,9E)-cyclododeca-1,3,5,9-tetraene
CID 173030490
cyclohexa-1,3-diene;nickel(2+)
CID 23341936
(2E,6E,10Z,14E)-cyclopentadeca-2,6,10,14-tetraen-1-one
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CID 160525491

Frequently Asked Questions

What is the IUPAC name of cyclotetradeca-2,4,8,12-tetraen-1-one?
The IUPAC name of cyclotetradeca-2,4,8,12-tetraen-1-one (CID 151266778) is cyclotetradeca-2,4,8,12-tetraen-1-one.
What is the SMILES notation for cyclotetradeca-2,4,8,12-tetraen-1-one?
The canonical SMILES for cyclotetradeca-2,4,8,12-tetraen-1-one is O=C1C=CC=CCCC=CCCC=CC1.
What is the InChIKey of cyclotetradeca-2,4,8,12-tetraen-1-one?
The InChIKey is NVNAQBJCTIEYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h1-2,7-11,13H,3-6,12H2.
What are the key properties of cyclotetradeca-2,4,8,12-tetraen-1-one?
cyclotetradeca-2,4,8,12-tetraen-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclotetradeca-2,4,8,12-tetraen-1-one is sourced from PubChem (CID 151266778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).