tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane

C23H34OSi — CID 10808070

IUPACtert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
SMILESCC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H34OSi/c1-22(2,3)25(6,7)24-21-15-14-20-12-9-8-11-19(20)13-10-17-23(4,5)18-16-21/h12-13,21H,8-9,11,16,18H2,1-7H3/b19-13-
InChIKeyUQYDUZJUGACDOS-UYRXBGFRSA-N
MW354.61 g/mol
LogP6.24
Rot. Bonds2

About tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane

tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane (PubChem CID 10808070) has the molecular formula C23H34OSi and a molecular weight of 354.61 g/mol. Its IUPAC name is tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
PubChem CID10808070
Molecular FormulaC23H34OSi
Molecular Weight354.61 g/mol
Exact Mass354.24
IUPAC Nametert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane
SMILESCC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C23H34OSi/c1-22(2,3)25(6,7)24-21-15-14-20-12-9-8-11-19(20)13-10-17-23(4,5)18-16-21/h12-13,21H,8-9,11,16,18H2,1-7H3/b19-13-
InChIKeyUQYDUZJUGACDOS-UYRXBGFRSA-N
XLogP6.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.61
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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[(4aS,6S)-1,4a-dimethyl-3,4,5,6,7,8-hexahydrobenzo[7]annulen-6-yl]oxy-tert-butyl-dimethylsilane
CID 10040842
triethyl-[2,4,4-trimethyl-3-[(1E,3E)-3-methyl-6-trimethylsilylhexa-1,3-dien-5-ynyl]cyclohex-2-en-1-yl]oxysilane
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CID 10967931
tert-butyl-[(1S)-3-ethenyl-2,2-dimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 11149799
tert-butyl-dimethyl-[(1R)-3,5,5-trimethyl-4-[(3E,5Z,7E)-3-methyl-8-tributylstannylocta-3,5,7-trien-1-ynyl]cyclohex-3-en-1-yl]oxysilane
CID 11849254
Tert-butyl-dimethyl-(4,6,6-trimethyl-2-methylidenecyclohex-3-en-1-yl)oxysilane
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[(1S,2R)-2-but-3-enyl-2-ethynyl-3-methylcyclohex-3-en-1-yl]oxy-tert-butyl-dimethylsilane
CID 56594956
tert-butyl-[(1R)-4-[(1E,3E,5E,7E)-3,7-dimethyldeca-1,3,5,7,9-pentaenyl]-3,5,5-trimethylcyclohex-3-en-1-yl]oxy-dimethylsilane
CID 56851268

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane (CID 10808070) is tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane is CC1(C)C#C/C=C2/CCCC=C2C#CC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane?
The InChIKey is UQYDUZJUGACDOS-UYRXBGFRSA-N. The full InChI is InChI=1S/C23H34OSi/c1-22(2,3)25(6,7)24-21-15-14-20-12-9-8-11-19(20)13-10-17-23(4,5)18-16-21/h12-13,21H,8-9,11,16,18H2,1-7H3/b19-13-.
What are the key properties of tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane?
tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane has a molecular weight of 354.61 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(10Z)-7,7-dimethyl-4-bicyclo[9.4.0]pentadeca-1(15),10-dien-2,8-diynyl]oxy]-dimethylsilane is sourced from PubChem (CID 10808070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).