icosa-1,8,14,17-tetraen-1-one

C20H32O — CID 91100789

IUPACicosa-1,8,14,17-tetraen-1-one
SMILESCCC=CCC=CCCCCC=CCCCCCC=C=O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h3-4,6-7,12-13,19H,2,5,8-11,14-18H2,1H3
InChIKeyGQMMDKUPXRZHAU-UHFFFAOYSA-N
MW288.48 g/mol
LogP6.35
Rot. Bonds14

About icosa-1,8,14,17-tetraen-1-one

icosa-1,8,14,17-tetraen-1-one (PubChem CID 91100789) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is icosa-1,8,14,17-tetraen-1-one.

Molecular Properties

Compound Nameicosa-1,8,14,17-tetraen-1-one
PubChem CID91100789
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Nameicosa-1,8,14,17-tetraen-1-one
SMILESCCC=CCC=CCCCCC=CCCCCCC=C=O
InChIInChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h3-4,6-7,12-13,19H,2,5,8-11,14-18H2,1H3
InChIKeyGQMMDKUPXRZHAU-UHFFFAOYSA-N
XLogP6.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadeca-1,4,7-trien-1-one
CID 175346373
(4E)-undeca-1,4-dien-1-one
CID 140677508
henicosa-3,6-diene
CID 72727393
hexadeca-3,6,9-triene
CID 56627141
(3Z,6Z,9Z,12Z)-henicosa-3,6,9,12-tetraene
CID 158472719
(3Z,12Z,15Z)-tricosa-3,12,15-triene
CID 174109859
(3E,16E)-nonadeca-3,16-diene
CID 157471321
heptadeca-3,6,12-triene
CID 54220025
henicosa-6,9,12,15,18-pentaen-1-ol
CID 90716675
(9E,12E,15E)-octadeca-9,12,15-trien-1-ol
CID 5367327
octadeca-3,4,11,15-tetraene
CID 174642630
henicosa-15,18-dienoic acid
CID 169277369

Frequently Asked Questions

What is the IUPAC name of icosa-1,8,14,17-tetraen-1-one?
The IUPAC name of icosa-1,8,14,17-tetraen-1-one (CID 91100789) is icosa-1,8,14,17-tetraen-1-one.
What is the SMILES notation for icosa-1,8,14,17-tetraen-1-one?
The canonical SMILES for icosa-1,8,14,17-tetraen-1-one is CCC=CCC=CCCCCC=CCCCCCC=C=O.
What is the InChIKey of icosa-1,8,14,17-tetraen-1-one?
The InChIKey is GQMMDKUPXRZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h3-4,6-7,12-13,19H,2,5,8-11,14-18H2,1H3.
What are the key properties of icosa-1,8,14,17-tetraen-1-one?
icosa-1,8,14,17-tetraen-1-one has a molecular weight of 288.48 g/mol, XLogP of 6.35, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-1,8,14,17-tetraen-1-one is sourced from PubChem (CID 91100789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).