12-oxo-3-pentyldodec-11-enal

C17H30O2 — CID 88697935

IUPAC12-oxo-3-pentyldodec-11-enal
SMILESCCCCCC(CC=O)CCCCCCCC=C=O
InChIInChI=1S/C17H30O2/c1-2-3-9-12-17(14-16-19)13-10-7-5-4-6-8-11-15-18/h11,16-17H,2-10,12-14H2,1H3
InChIKeyWZGIYOYXQHTOSK-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.89
Rot. Bonds14

About 12-oxo-3-pentyldodec-11-enal

12-oxo-3-pentyldodec-11-enal (PubChem CID 88697935) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 12-oxo-3-pentyldodec-11-enal.

Molecular Properties

Compound Name12-oxo-3-pentyldodec-11-enal
PubChem CID88697935
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name12-oxo-3-pentyldodec-11-enal
SMILESCCCCCC(CC=O)CCCCCCCC=C=O
InChIInChI=1S/C17H30O2/c1-2-3-9-12-17(14-16-19)13-10-7-5-4-6-8-11-15-18/h11,16-17H,2-10,12-14H2,1H3
InChIKeyWZGIYOYXQHTOSK-UHFFFAOYSA-N
XLogP4.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.89
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': 'ketene', 'substructure': 'N/A'}

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Related Compounds

3-nonyldodecanal
CID 142613821
4-decylheptadec-1-en-1-one
CID 91338563
3-propylnonanal
CID 54180960
3-propylheptanal
CID 12639871
7-methyl-3-pentyloct-6-enal
CID 21430179
7-propyldodecanal
CID 21439180
10-methylundec-1-en-1-one
CID 57250938
tetracos-1-ene-1,13-dione
CID 173037272
13-hydroxy-14-nitrodocos-1-en-1-one
CID 89267124
[(Z)-undec-2-enyl] 8-(2-oxoethyl)heptadecanoate
CID 169098024
5-ethylundecanal
CID 54527856
2-undecylpentadecanedial
CID 91207185

Frequently Asked Questions

What is the IUPAC name of 12-oxo-3-pentyldodec-11-enal?
The IUPAC name of 12-oxo-3-pentyldodec-11-enal (CID 88697935) is 12-oxo-3-pentyldodec-11-enal.
What is the SMILES notation for 12-oxo-3-pentyldodec-11-enal?
The canonical SMILES for 12-oxo-3-pentyldodec-11-enal is CCCCCC(CC=O)CCCCCCCC=C=O.
What is the InChIKey of 12-oxo-3-pentyldodec-11-enal?
The InChIKey is WZGIYOYXQHTOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-2-3-9-12-17(14-16-19)13-10-7-5-4-6-8-11-15-18/h11,16-17H,2-10,12-14H2,1H3.
What are the key properties of 12-oxo-3-pentyldodec-11-enal?
12-oxo-3-pentyldodec-11-enal has a molecular weight of 266.42 g/mol, XLogP of 4.89, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-oxo-3-pentyldodec-11-enal is sourced from PubChem (CID 88697935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).