tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane

C20H40OSi — CID 138966359

IUPACtert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
SMILESC/C1=C/CCCCC(C)(CCCCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H40OSi/c1-18-13-9-8-10-14-20(5,17-18)15-11-12-16-21-22(6,7)19(2,3)4/h13H,8-12,14-17H2,1-7H3/b18-13-
InChIKeyRRNPCOLIRCVUSS-AQTBWJFISA-N
MW324.63 g/mol
LogP7.10
Rot. Bonds6

About tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane

tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane (PubChem CID 138966359) has the molecular formula C20H40OSi and a molecular weight of 324.63 g/mol. Its IUPAC name is tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
PubChem CID138966359
Molecular FormulaC20H40OSi
Molecular Weight324.63 g/mol
Exact Mass324.28
IUPAC Nametert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane
SMILESC/C1=C/CCCCC(C)(CCCCO[Si](C)(C)C(C)(C)C)C1
InChIInChI=1S/C20H40OSi/c1-18-13-9-8-10-14-20(5,17-18)15-11-12-16-21-22(6,7)19(2,3)4/h13H,8-12,14-17H2,1-7H3/b18-13-
InChIKeyRRNPCOLIRCVUSS-AQTBWJFISA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.63
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 60147452
tert-Butyldimethyl(((S)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147456
tert-Butyldimethyl(((R)-4-((1S,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
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tert-Butyldimethyl(((R)-4-((1R,2S)-1-methyl-2-(prop-1-en-2-yl)cyclobutyl)cyclohex-1-en-1-yl)methoxy)silane
CID 60147477
Tert-butyl-[(3-decylcyclopenten-1-yl)methoxy]-dimethylsilane
CID 101011318
tri(propan-2-yl)-[[(1S,3E,7E,11R)-1,4,8-trimethyl-13-bicyclo[9.4.0]pentadeca-3,7,12-trienyl]oxy]silane
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Tert-butyl-dimethyl-[(4-methyl-2-pentylcyclopent-3-en-1-yl)methoxy]silane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane (CID 138966359) is tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane is C/C1=C/CCCCC(C)(CCCCO[Si](C)(C)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?
The InChIKey is RRNPCOLIRCVUSS-AQTBWJFISA-N. The full InChI is InChI=1S/C20H40OSi/c1-18-13-9-8-10-14-20(5,17-18)15-11-12-16-21-22(6,7)19(2,3)4/h13H,8-12,14-17H2,1-7H3/b18-13-.
What are the key properties of tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane?
tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane has a molecular weight of 324.63 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(3Z)-1,3-dimethylcyclooct-3-en-1-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 138966359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).