[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate

C16H30O2Si — CID 11391919

IUPAC[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate
SMILESC=C(C)[C@@H](C)CC/C(=C/COC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(2)14(3)8-9-16(12-19(5,6)7)10-11-18-15(4)17/h10,14H,1,8-9,11-12H2,2-7H3/b16-10-/t14-/m0/s1
InChIKeyJZALBWMHOMWGRF-FBKCMUNRSA-N
MW282.50 g/mol
LogP4.81
Rot. Bonds8

About [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate

[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate (PubChem CID 11391919) has the molecular formula C16H30O2Si and a molecular weight of 282.50 g/mol. Its IUPAC name is [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate.

Molecular Properties

Compound Name[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate
PubChem CID11391919
Molecular FormulaC16H30O2Si
Molecular Weight282.50 g/mol
Exact Mass282.20
IUPAC Name[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate
SMILESC=C(C)[C@@H](C)CC/C(=C/COC(C)=O)C[Si](C)(C)C
InChIInChI=1S/C16H30O2Si/c1-13(2)14(3)8-9-16(12-19(5,6)7)10-11-18-15(4)17/h10,14H,1,8-9,11-12H2,2-7H3/b16-10-/t14-/m0/s1
InChIKeyJZALBWMHOMWGRF-FBKCMUNRSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phytyl acetate
CID 637195
Phytol, acetate
CID 6428538
3,7,11,15-Tetramethylhexadec-2-en-1-yl acetate
CID 53425386
[(7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
CID 112093
3,7-Dimethyloct-2-enyl acetate
CID 5352434
[(2Z)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dienyl] acetate
CID 101673680
[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
CID 92973629
[(2E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-2,6-dienyl] acetate
CID 101674067
[(2E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 13821292
(Z)-3,7-Dimethyloct-2-enyl acetate
CID 21159434
[(E)-3,5,7,16-tetramethylheptadec-2-enyl] acetate
CID 72722175
Phytyl acetate, (Z)-
CID 76963442

Frequently Asked Questions

What is the IUPAC name of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate?
The IUPAC name of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate (CID 11391919) is [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate.
What is the SMILES notation for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate?
The canonical SMILES for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate is C=C(C)[C@@H](C)CC/C(=C/COC(C)=O)C[Si](C)(C)C.
What is the InChIKey of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate?
The InChIKey is JZALBWMHOMWGRF-FBKCMUNRSA-N. The full InChI is InChI=1S/C16H30O2Si/c1-13(2)14(3)8-9-16(12-19(5,6)7)10-11-18-15(4)17/h10,14H,1,8-9,11-12H2,2-7H3/b16-10-/t14-/m0/s1.
What are the key properties of [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate?
[(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate has a molecular weight of 282.50 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,6S)-6,7-dimethyl-3-(trimethylsilylmethyl)octa-2,7-dienyl] acetate is sourced from PubChem (CID 11391919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).