triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane

C26H50OSi2 — CID 134956682

IUPACtriethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)CCC1
InChIInChI=1S/C26H50OSi2/c1-10-28(11-2,12-3)27-26-19-16-18-25(21-26)17-14-13-15-20-29(22(4)5,23(6)7)24(8)9/h21-25H,10-14,16-19H2,1-9H3/t25-/m0/s1
InChIKeyBTJOXDUOTHTMAV-VWLOTQADSA-N
MW434.86 g/mol
LogP9.08
Rot. Bonds11

About triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane

triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane (PubChem CID 134956682) has the molecular formula C26H50OSi2 and a molecular weight of 434.86 g/mol. Its IUPAC name is triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
PubChem CID134956682
Molecular FormulaC26H50OSi2
Molecular Weight434.86 g/mol
Exact Mass434.34
IUPAC Nametriethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane
SMILESCC[Si](CC)(CC)OC1=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)CCC1
InChIInChI=1S/C26H50OSi2/c1-10-28(11-2,12-3)27-26-19-16-18-25(21-26)17-14-13-15-20-29(22(4)5,23(6)7)24(8)9/h21-25H,10-14,16-19H2,1-9H3/t25-/m0/s1
InChIKeyBTJOXDUOTHTMAV-VWLOTQADSA-N
XLogP9.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.86
LogP ≤ 59.08
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane?
The IUPAC name of triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane (CID 134956682) is triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane.
What is the SMILES notation for triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane?
The canonical SMILES for triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane is CC[Si](CC)(CC)OC1=C[C@@H](CCCC#C[Si](C(C)C)(C(C)C)C(C)C)CCC1.
What is the InChIKey of triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane?
The InChIKey is BTJOXDUOTHTMAV-VWLOTQADSA-N. The full InChI is InChI=1S/C26H50OSi2/c1-10-28(11-2,12-3)27-26-19-16-18-25(21-26)17-14-13-15-20-29(22(4)5,23(6)7)24(8)9/h21-25H,10-14,16-19H2,1-9H3/t25-/m0/s1.
What are the key properties of triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane?
triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane has a molecular weight of 434.86 g/mol, XLogP of 9.08, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(3S)-3-[5-tri(propan-2-yl)silylpent-4-ynyl]cyclohexen-1-yl]oxysilane is sourced from PubChem (CID 134956682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).