7-oxotetradeca-9,11,13-trienal

C14H20O2 — CID 162716798

IUPAC7-oxotetradeca-9,11,13-trienal
SMILESC=CC=CC=CCC(=O)CCCCCC=O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-8-11-14(16)12-9-6-7-10-13-15/h2-5,8,13H,1,6-7,9-12H2
InChIKeySUBWDKBELXQQHY-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.39
Rot. Bonds10

About 7-oxotetradeca-9,11,13-trienal

7-oxotetradeca-9,11,13-trienal (PubChem CID 162716798) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 7-oxotetradeca-9,11,13-trienal.

Molecular Properties

Compound Name7-oxotetradeca-9,11,13-trienal
PubChem CID162716798
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name7-oxotetradeca-9,11,13-trienal
SMILESC=CC=CC=CCC(=O)CCCCCC=O
InChIInChI=1S/C14H20O2/c1-2-3-4-5-8-11-14(16)12-9-6-7-10-13-15/h2-5,8,13H,1,6-7,9-12H2
InChIKeySUBWDKBELXQQHY-UHFFFAOYSA-N
XLogP3.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

dodeca-1,3-dien-6-one
CID 154455058
(13E,15E)-octadeca-13,15,17-trienoic acid
CID 87408456
(10Z,12E)-pentadeca-10,12,14-trien-2-one
CID 90453411
dodeca-9,11-dienal
CID 543135
6,19-dioxononadecanoic acid
CID 174486192
8-oxodecanal
CID 118225653
(11Z)-tetradeca-11,13-dien-4-one
CID 141483115
(3E,5E,7E,9E)-dodeca-3,5,7,9,11-pentaenoic acid
CID 5312395
(3Z,5Z,7Z,9Z)-dodeca-3,5,7,9,11-pentaenoic acid
CID 131839742
9-oxotetradecanal
CID 13272684
19-oxodocosanal
CID 54396259
(4Z,6Z)-nona-4,6,8-trien-2-one
CID 142221848

Frequently Asked Questions

What is the IUPAC name of 7-oxotetradeca-9,11,13-trienal?
The IUPAC name of 7-oxotetradeca-9,11,13-trienal (CID 162716798) is 7-oxotetradeca-9,11,13-trienal.
What is the SMILES notation for 7-oxotetradeca-9,11,13-trienal?
The canonical SMILES for 7-oxotetradeca-9,11,13-trienal is C=CC=CC=CCC(=O)CCCCCC=O.
What is the InChIKey of 7-oxotetradeca-9,11,13-trienal?
The InChIKey is SUBWDKBELXQQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-3-4-5-8-11-14(16)12-9-6-7-10-13-15/h2-5,8,13H,1,6-7,9-12H2.
What are the key properties of 7-oxotetradeca-9,11,13-trienal?
7-oxotetradeca-9,11,13-trienal has a molecular weight of 220.31 g/mol, XLogP of 3.39, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxotetradeca-9,11,13-trienal is sourced from PubChem (CID 162716798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).