[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate

C16H32O2Si — CID 91736184

IUPAC[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)10-9-11-14(3)12-15(17)18-19(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3
InChIKeyPAYDULIHYPMYID-UHFFFAOYSA-N
MW284.52 g/mol
LogP5.31
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate

[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate (PubChem CID 91736184) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate
PubChem CID91736184
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate
SMILESCC(C)=CCCC(C)CC(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-13(2)10-9-11-14(3)12-15(17)18-19(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3
InChIKeyPAYDULIHYPMYID-UHFFFAOYSA-N
XLogP5.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.52
LogP ≤ 55.31
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

(S)-(-)-citronellate
CID 6999954
Citronellate
CID 9549318
Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Trimethylsilyl cyclohex-3-ene-1-carboxylate
CID 67666049
11-Methyloctadec-12-enoic acid trimethylsilyl ester
CID 129821971
methyl (3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-3,7-dimethyloct-6-enoate
CID 11056141
Arachidonic acid, TBDMS
CID 6428868
gamma-Linolenic acid, tert-butyldimethylsilyl ester
CID 91697369
(S)-(-)-Citronellic acid, TMS derivative
CID 91709808
cis-6-Octadecenoic acid, tert-butyldimethylsilyl ester
CID 91743169
ethyl (E)-3,7-dimethyl-8-trimethylsilyloct-6-enoate
CID 11231042
Ethyl 4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
CID 12563472

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate (CID 91736184) is [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate is CC(C)=CCCC(C)CC(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate?
The InChIKey is PAYDULIHYPMYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-13(2)10-9-11-14(3)12-15(17)18-19(7,8)16(4,5)6/h10,14H,9,11-12H2,1-8H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate?
[tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate has a molecular weight of 284.52 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3,7-dimethyloct-6-enoate is sourced from PubChem (CID 91736184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).