(6Z)-3,7-dimethylundeca-6,10-dienal

C13H22O — CID 175255788

IUPAC(6Z)-3,7-dimethylundeca-6,10-dienal
SMILESC=CCC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C13H22O/c1-4-5-7-12(2)8-6-9-13(3)10-11-14/h4,8,11,13H,1,5-7,9-10H2,2-3H3/b12-8-
InChIKeyIMTFXEJSJMOMAX-WQLSENKSSA-N
MW194.32 g/mol
LogP3.90
Rot. Bonds8

About (6Z)-3,7-dimethylundeca-6,10-dienal

(6Z)-3,7-dimethylundeca-6,10-dienal (PubChem CID 175255788) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (6Z)-3,7-dimethylundeca-6,10-dienal.

Molecular Properties

Compound Name(6Z)-3,7-dimethylundeca-6,10-dienal
PubChem CID175255788
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(6Z)-3,7-dimethylundeca-6,10-dienal
SMILESC=CCC/C(C)=C\CCC(C)CC=O
InChIInChI=1S/C13H22O/c1-4-5-7-12(2)8-6-9-13(3)10-11-14/h4,8,11,13H,1,5-7,9-10H2,2-3H3/b12-8-
InChIKeyIMTFXEJSJMOMAX-WQLSENKSSA-N
XLogP3.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E)-3,7-dimethyldodeca-6,11-dien-1-ol
CID 21160167
(3S)-3-methylhexanedial
CID 129384452
(Z)-9-ethyl-3,7-dimethyltridec-6-enal
CID 153352210
5,9-dimethyldeca-1,8-diene
CID 12578605
2,6,10-trimethyldodeca-2,6,11-trienal
CID 57254613
3,7-dimethyloct-6-enal;3,7-dimethyloct-6-enenitrile
CID 174893210
N-ethyl-4-methylocta-3,7-dien-1-amine
CID 79599857
ethane;(5Z)-5-methylocta-1,5-diene
CID 155705867
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896

Frequently Asked Questions

What is the IUPAC name of (6Z)-3,7-dimethylundeca-6,10-dienal?
The IUPAC name of (6Z)-3,7-dimethylundeca-6,10-dienal (CID 175255788) is (6Z)-3,7-dimethylundeca-6,10-dienal.
What is the SMILES notation for (6Z)-3,7-dimethylundeca-6,10-dienal?
The canonical SMILES for (6Z)-3,7-dimethylundeca-6,10-dienal is C=CCC/C(C)=C\CCC(C)CC=O.
What is the InChIKey of (6Z)-3,7-dimethylundeca-6,10-dienal?
The InChIKey is IMTFXEJSJMOMAX-WQLSENKSSA-N. The full InChI is InChI=1S/C13H22O/c1-4-5-7-12(2)8-6-9-13(3)10-11-14/h4,8,11,13H,1,5-7,9-10H2,2-3H3/b12-8-.
What are the key properties of (6Z)-3,7-dimethylundeca-6,10-dienal?
(6Z)-3,7-dimethylundeca-6,10-dienal has a molecular weight of 194.32 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3,7-dimethylundeca-6,10-dienal is sourced from PubChem (CID 175255788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).