3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate

C18H31NO2 — CID 75244068

IUPAC3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate
SMILESCNCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-21-18(20)14-19-5/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3
InChIKeyKIVZSZWYDSYUIA-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.17
Rot. Bonds10

About 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate

3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate (PubChem CID 75244068) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate.

Molecular Properties

Compound Name3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate
PubChem CID75244068
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate
SMILESCNCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C18H31NO2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-21-18(20)14-19-5/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3
InChIKeyKIVZSZWYDSYUIA-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate?
The IUPAC name of 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate (CID 75244068) is 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate.
What is the SMILES notation for 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate?
The canonical SMILES for 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate is CNCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate?
The InChIKey is KIVZSZWYDSYUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-21-18(20)14-19-5/h8,10,12,19H,6-7,9,11,13-14H2,1-5H3.
What are the key properties of 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate?
3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate has a molecular weight of 293.45 g/mol, XLogP of 4.17, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyldodeca-2,6,10-trienyl 2-(methylamino)acetate is sourced from PubChem (CID 75244068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).