[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate

C24H46O3Si — CID 101169637

IUPAC[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate
SMILESCC(C)=CCC/C(C)=C/COC(=O)C[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-18(2)12-11-13-22(9)14-15-26-24(25)16-23(10)17-27-28(19(3)4,20(5)6)21(7)8/h12,14,19-21,23H,11,13,15-17H2,1-10H3/b22-14+/t23-/m0/s1
InChIKeyKNPWAUJUKSIAKK-DZSAKIAFSA-N
MW410.72 g/mol
LogP7.44
Rot. Bonds13

About [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate

[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate (PubChem CID 101169637) has the molecular formula C24H46O3Si and a molecular weight of 410.72 g/mol. Its IUPAC name is [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate.

Molecular Properties

Compound Name[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate
PubChem CID101169637
Molecular FormulaC24H46O3Si
Molecular Weight410.72 g/mol
Exact Mass410.32
IUPAC Name[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate
SMILESCC(C)=CCC/C(C)=C/COC(=O)C[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H46O3Si/c1-18(2)12-11-13-22(9)14-15-26-24(25)16-23(10)17-27-28(19(3)4,20(5)6)21(7)8/h12,14,19-21,23H,11,13,15-17H2,1-10H3/b22-14+/t23-/m0/s1
InChIKeyKNPWAUJUKSIAKK-DZSAKIAFSA-N
XLogP7.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.72
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate with MolForge

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Related Compounds

bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
[(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
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-[[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxoethyl]amino]acetate
CID 140995074
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] hexanedioate
CID 102530693
[(2E)-3,7-dimethylocta-2,6-dienyl] 3-methylbut-3-enoate
CID 10966517
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
CID 46937945
[(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] (4Z,8E,12E,16E,20E,24Z,28E,32Z,36E)-5,9,13,17,21,25,29,33,37,41-decamethyldotetraconta-4,8,12,16,20,24,28,32,36,40-decaenoate
CID 24837759
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
[(2E)-3,7-dimethylocta-2,6-dienyl] but-3-enoate
CID 139889116
[(2E)-3,7-dimethylocta-2,6-dienyl] 4-bromobutanoate
CID 176892958

Frequently Asked Questions

What is the IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate?
The IUPAC name of [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate (CID 101169637) is [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate.
What is the SMILES notation for [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate?
The canonical SMILES for [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate is CC(C)=CCC/C(C)=C/COC(=O)C[C@H](C)CO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate?
The InChIKey is KNPWAUJUKSIAKK-DZSAKIAFSA-N. The full InChI is InChI=1S/C24H46O3Si/c1-18(2)12-11-13-22(9)14-15-26-24(25)16-23(10)17-27-28(19(3)4,20(5)6)21(7)8/h12,14,19-21,23H,11,13,15-17H2,1-10H3/b22-14+/t23-/m0/s1.
What are the key properties of [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate?
[(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate has a molecular weight of 410.72 g/mol, XLogP of 7.44, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-3,7-dimethylocta-2,6-dienyl] (3S)-3-methyl-4-tri(propan-2-yl)silyloxybutanoate is sourced from PubChem (CID 101169637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).