(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal

C16H29NO — CID 142177266

IUPAC(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal
SMILESCC(=C/CCN(C)C)/C=C/CC(C)CC(C)C=O
InChIInChI=1S/C16H29NO/c1-14(10-7-11-17(4)5)8-6-9-15(2)12-16(3)13-18/h6,8,10,13,15-16H,7,9,11-12H2,1-5H3/b8-6+,14-10-
InChIKeyIRVAZCFECDZGHH-UZCZQPMLSA-N
MW251.41 g/mol
LogP3.69
Rot. Bonds9

About (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal

(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal (PubChem CID 142177266) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal.

Molecular Properties

Compound Name(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal
PubChem CID142177266
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal
SMILESCC(=C/CCN(C)C)/C=C/CC(C)CC(C)C=O
InChIInChI=1S/C16H29NO/c1-14(10-7-11-17(4)5)8-6-9-15(2)12-16(3)13-18/h6,8,10,13,15-16H,7,9,11-12H2,1-5H3/b8-6+,14-10-
InChIKeyIRVAZCFECDZGHH-UZCZQPMLSA-N
XLogP3.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 90938345
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CID 126662538
3-[1-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]piperidin-4-yl]propanal
CID 142202510
6-[2-(Dimethylamino)ethyl]-5-methylcyclohexa-2,4-diene-1-carbaldehyde
CID 144472692
(5E)-4-[[bis(2-methylbutan-2-yl)amino]methyl]-5-[(Z)-prop-1-enyl]octa-5,7-dienal
CID 144956501
N-[2-[(3R,5S)-5-formyl-2,3-dimethylcycloocta-1,7-dien-1-yl]ethyl]-N-methylacetamide
CID 163993203
2-Methyl-8-[methyl(propyl)amino]oct-6-enal
CID 173051366
(7Z,9Z)-10,12-dimethyl-14-[methyl(propan-2-yl)amino]tetradeca-7,9-dienal
CID 174095582

Frequently Asked Questions

What is the IUPAC name of (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal?
The IUPAC name of (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal (CID 142177266) is (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal.
What is the SMILES notation for (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal?
The canonical SMILES for (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal is CC(=C/CCN(C)C)/C=C/CC(C)CC(C)C=O.
What is the InChIKey of (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal?
The InChIKey is IRVAZCFECDZGHH-UZCZQPMLSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(10-7-11-17(4)5)8-6-9-15(2)12-16(3)13-18/h6,8,10,13,15-16H,7,9,11-12H2,1-5H3/b8-6+,14-10-.
What are the key properties of (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal?
(6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal has a molecular weight of 251.41 g/mol, XLogP of 3.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z)-11-(dimethylamino)-2,4,8-trimethylundeca-6,8-dienal is sourced from PubChem (CID 142177266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).