2,6,10-trimethyl-5-oxoundec-9-enal

C14H24O2 — CID 101143441

IUPAC2,6,10-trimethyl-5-oxoundec-9-enal
SMILESCC(C)=CCCC(C)C(=O)CCC(C)C=O
InChIInChI=1S/C14H24O2/c1-11(2)6-5-7-13(4)14(16)9-8-12(3)10-15/h6,10,12-13H,5,7-9H2,1-4H3
InChIKeySZLATXFZTSXLII-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.55
Rot. Bonds8

About 2,6,10-trimethyl-5-oxoundec-9-enal

2,6,10-trimethyl-5-oxoundec-9-enal (PubChem CID 101143441) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2,6,10-trimethyl-5-oxoundec-9-enal.

Molecular Properties

Compound Name2,6,10-trimethyl-5-oxoundec-9-enal
PubChem CID101143441
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2,6,10-trimethyl-5-oxoundec-9-enal
SMILESCC(C)=CCCC(C)C(=O)CCC(C)C=O
InChIInChI=1S/C14H24O2/c1-11(2)6-5-7-13(4)14(16)9-8-12(3)10-15/h6,10,12-13H,5,7-9H2,1-4H3
InChIKeySZLATXFZTSXLII-UHFFFAOYSA-N
XLogP3.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylhept-5-enal
CID 158364508
1-hydroxy-3,7-dimethyloct-6-en-2-one
CID 15409470
(2S)-2,6-dimethyl-5-oxoheptanal
CID 10511104
(5E)-2,6,10-trimethylundeca-5,9-dienoic acid
CID 10036589
(7E)-2,4,8,12-tetramethyltrideca-7,11-dien-3-one
CID 20591839
4,5,9-trimethyldeca-3,8-dienoic acid
CID 175438930
2,4-dimethyl-2-(5-methylhex-4-enyl)pentanedial
CID 10823036
2-methyl-6-oxoheptanal
CID 14561323
(E)-2-methyl-5,8-dioxonon-6-enal
CID 58435612
2,4-bis(6-methylhept-5-en-2-yl)pent-2-enedial
CID 88812078
6-ethyl-2-methyl-5-oxodecanal
CID 170308949
(6R,10R)-2,6,10,14-tetramethyl-7-methylidenepentadeca-2,13-dien-8-one
CID 11312339

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-5-oxoundec-9-enal?
The IUPAC name of 2,6,10-trimethyl-5-oxoundec-9-enal (CID 101143441) is 2,6,10-trimethyl-5-oxoundec-9-enal.
What is the SMILES notation for 2,6,10-trimethyl-5-oxoundec-9-enal?
The canonical SMILES for 2,6,10-trimethyl-5-oxoundec-9-enal is CC(C)=CCCC(C)C(=O)CCC(C)C=O.
What is the InChIKey of 2,6,10-trimethyl-5-oxoundec-9-enal?
The InChIKey is SZLATXFZTSXLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11(2)6-5-7-13(4)14(16)9-8-12(3)10-15/h6,10,12-13H,5,7-9H2,1-4H3.
What are the key properties of 2,6,10-trimethyl-5-oxoundec-9-enal?
2,6,10-trimethyl-5-oxoundec-9-enal has a molecular weight of 224.34 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-5-oxoundec-9-enal is sourced from PubChem (CID 101143441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).