butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

C21H40O2Si2 — CID 20736615

IUPACbutyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)C(O[Si](C)(C)CCCC)CC(O[Si](C)(C)CCCC)C1
InChIInChI=1S/C21H40O2Si2/c1-9-12-14-24(5,6)22-20-16-19(11-3)18(4)21(17-20)23-25(7,8)15-13-10-2/h3,20-21H,9-10,12-17H2,1-2,4-8H3
InChIKeyYSPLAXDPNLYUSI-UHFFFAOYSA-N
MW380.72 g/mol
LogP6.51
Rot. Bonds10

About butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane

butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (PubChem CID 20736615) has the molecular formula C21H40O2Si2 and a molecular weight of 380.72 g/mol. Its IUPAC name is butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.

Molecular Properties

Compound Namebutyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
PubChem CID20736615
Molecular FormulaC21H40O2Si2
Molecular Weight380.72 g/mol
Exact Mass380.26
IUPAC Namebutyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane
SMILESC#CC1=C(C)C(O[Si](C)(C)CCCC)CC(O[Si](C)(C)CCCC)C1
InChIInChI=1S/C21H40O2Si2/c1-9-12-14-24(5,6)22-20-16-19(11-3)18(4)21(17-20)23-25(7,8)15-13-10-2/h3,20-21H,9-10,12-17H2,1-2,4-8H3
InChIKeyYSPLAXDPNLYUSI-UHFFFAOYSA-N
XLogP6.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.72
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The IUPAC name of butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane (CID 20736615) is butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane.
What is the SMILES notation for butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The canonical SMILES for butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is C#CC1=C(C)C(O[Si](C)(C)CCCC)CC(O[Si](C)(C)CCCC)C1.
What is the InChIKey of butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
The InChIKey is YSPLAXDPNLYUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40O2Si2/c1-9-12-14-24(5,6)22-20-16-19(11-3)18(4)21(17-20)23-25(7,8)15-13-10-2/h3,20-21H,9-10,12-17H2,1-2,4-8H3.
What are the key properties of butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane?
butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane has a molecular weight of 380.72 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[5-[butyl(dimethyl)silyl]oxy-3-ethynyl-2-methylcyclohex-2-en-1-yl]oxy-dimethylsilane is sourced from PubChem (CID 20736615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).