(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid

C16H29NO2 — CID 88846605

IUPAC(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/C(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19)/b14-11+
InChIKeyZCAXSYKEKUREKM-SDNWHVSQSA-N
MW267.41 g/mol
LogP3.72
Rot. Bonds9

About (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid

(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid (PubChem CID 88846605) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid.

Molecular Properties

Compound Name(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
PubChem CID88846605
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid
SMILESCC(C)=CCC/C(C)=C/C(CCN(C)C)CC(=O)O
InChIInChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19)/b14-11+
InChIKeyZCAXSYKEKUREKM-SDNWHVSQSA-N
XLogP3.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877
2-(dimethylamino)ethyl 3-benzyl-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 70579563
13-(dimethylamino)-5,9-dimethyltrideca-4,8-dienoic acid
CID 173462610
3-(2,6-dimethylhepta-1,5-dienyl)-6,10-dimethylundeca-5,9-dienoyl chloride
CID 57090053
2-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]butanedioic acid
CID 23216777
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(5E)-6,10-dimethyl-3-sulfanylundeca-5,9-dienoic acid
CID 88700602
(2R)-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoyl]amino]butanedioic acid
CID 10473146
(3,7-dimethyl-1-sulfanylocta-2,6-dienyl) acetate
CID 57137605
4-[(2Z)-1-hydroxy-3,7-dimethylocta-2,6-dienoxy]-4-oxobutanoic acid
CID 174852652

Frequently Asked Questions

What is the IUPAC name of (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The IUPAC name of (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid (CID 88846605) is (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid.
What is the SMILES notation for (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The canonical SMILES for (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid is CC(C)=CCC/C(C)=C/C(CCN(C)C)CC(=O)O.
What is the InChIKey of (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
The InChIKey is ZCAXSYKEKUREKM-SDNWHVSQSA-N. The full InChI is InChI=1S/C16H29NO2/c1-13(2)7-6-8-14(3)11-15(12-16(18)19)9-10-17(4)5/h7,11,15H,6,8-10,12H2,1-5H3,(H,18,19)/b14-11+.
What are the key properties of (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid?
(4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-[2-(dimethylamino)ethyl]-5,9-dimethyldeca-4,8-dienoic acid is sourced from PubChem (CID 88846605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).