[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate

C17H29NO2 — CID 46937945

IUPAC[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)CN
InChIInChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-17(19)13-18/h7,9,11H,5-6,8,10,12-13,18H2,1-4H3/b15-9+,16-11+
InChIKeyBEFPDOXWGZYYNP-XGGJEREUSA-N
MW279.42 g/mol
LogP3.91
Rot. Bonds9

About [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate

[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate (PubChem CID 46937945) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate.

Molecular Properties

Compound Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
PubChem CID46937945
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)CN
InChIInChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-17(19)13-18/h7,9,11H,5-6,8,10,12-13,18H2,1-4H3/b15-9+,16-11+
InChIKeyBEFPDOXWGZYYNP-XGGJEREUSA-N
XLogP3.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate with MolForge

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Related Compounds

[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] hexanedioate
CID 102530693
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
3,7-dimethylocta-2,6-dienyl 7,11-dimethyldodeca-6,10-dienoate
CID 91565199
3,7,11-trimethyldodeca-2,6,10-trienyl 3-sulfanylpropanoate
CID 57047434
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-[[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]amino]acetate
CID 140995074
[(2E)-3,7-dimethylocta-2,6-dienyl] 4-bromobutanoate
CID 176892958
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116
[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbut-3-enoate
CID 10966517
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] decanoate
CID 56935986

Frequently Asked Questions

What is the IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate?
The IUPAC name of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate (CID 46937945) is [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate.
What is the SMILES notation for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate?
The canonical SMILES for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate is CC(C)=CCC/C(C)=C/CC/C(C)=C/COC(=O)CN.
What is the InChIKey of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate?
The InChIKey is BEFPDOXWGZYYNP-XGGJEREUSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-20-17(19)13-18/h7,9,11H,5-6,8,10,12-13,18H2,1-4H3/b15-9+,16-11+.
What are the key properties of [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate?
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate has a molecular weight of 279.42 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate is sourced from PubChem (CID 46937945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).