[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate

C18H36O3Si — CID 24862361

IUPAC[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
SMILESCC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1
InChIKeyPIYRZXQRZMRQAM-LDCVWXEPSA-N
MW328.57 g/mol
LogP5.32
Rot. Bonds8

About [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate

[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate (PubChem CID 24862361) has the molecular formula C18H36O3Si and a molecular weight of 328.57 g/mol. Its IUPAC name is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate.

Molecular Properties

Compound Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
PubChem CID24862361
Molecular FormulaC18H36O3Si
Molecular Weight328.57 g/mol
Exact Mass328.24
IUPAC Name[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate
SMILESCC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1
InChIKeyPIYRZXQRZMRQAM-LDCVWXEPSA-N
XLogP5.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 55.32
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'}

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Related Compounds

ethyl (E,2S,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 131668139
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
Geranylcitronellyl acetate
CID 87224925
ethyl (E,2R,6R,8S)-8-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylnon-4-enoate
CID 125295114
(4R,8S,9S,E)-8-((tert-butyldimethylsilyl)oxy)-6,9-dimethylundeca-6,10-dien-4-yl acetate
CID 163319751
[(E,3R,7S,9R)-10-[tert-butyl(dimethyl)silyl]oxy-3,5,7,9-tetramethyldec-4-enyl] 2,2-dimethylpropanoate
CID 11487142
(6R)-6-(Tert-butyldimethylsilyloxy)-8-pivaloyloxy-2-methyloct-2-ene
CID 101618229
(1S,2R)-2-[1-(tert-Butyldimethylsilyloxy)-cyclopent-3-en-2-yl]ethyl acetate
CID 50942718
5-(1,1,3,3,3-Pentamethyl-disiloxanyl)-pentanoic Acid 3,7-dimethyl-oct-6-enyl Ester
CID 54447955
[(1S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]methyl acetate
CID 57284807
[2-[tert-butyl(dimethyl)silyl]oxy-1-[(1S)-cyclohex-3-en-1-yl]ethyl] acetate
CID 67640794
[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]cyclopent-3-en-1-yl] acetate
CID 67853973

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The IUPAC name of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate (CID 24862361) is [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate.
What is the SMILES notation for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The canonical SMILES for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate is CC(=O)OC(CC=C(C)C)[C@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
The InChIKey is PIYRZXQRZMRQAM-LDCVWXEPSA-N. The full InChI is InChI=1S/C18H36O3Si/c1-14(2)10-11-17(21-16(4)19)15(3)12-13-20-22(8,9)18(5,6)7/h10,15,17H,11-13H2,1-9H3/t15-,17?/m1/s1.
What are the key properties of [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate?
[(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate has a molecular weight of 328.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-en-4-yl] acetate is sourced from PubChem (CID 24862361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).