[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane

C21H36Si — CID 102596956

IUPAC[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane
SMILESCCCC/C=C(/C#CC1=CCC(C(C)(C)C)CC1)[Si](C)(C)C
InChIInChI=1S/C21H36Si/c1-8-9-10-11-20(22(5,6)7)17-14-18-12-15-19(16-13-18)21(2,3)4/h11-12,19H,8-10,13,15-16H2,1-7H3/b20-11-
InChIKeyXYIOVSHKHAQLCX-JAIQZWGSSA-N
MW316.61 g/mol
LogP6.76
Rot. Bonds4

About [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane

[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane (PubChem CID 102596956) has the molecular formula C21H36Si and a molecular weight of 316.61 g/mol. Its IUPAC name is [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane
PubChem CID102596956
Molecular FormulaC21H36Si
Molecular Weight316.61 g/mol
Exact Mass316.26
IUPAC Name[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane
SMILESCCCC/C=C(/C#CC1=CCC(C(C)(C)C)CC1)[Si](C)(C)C
InChIInChI=1S/C21H36Si/c1-8-9-10-11-20(22(5,6)7)17-14-18-12-15-19(16-13-18)21(2,3)4/h11-12,19H,8-10,13,15-16H2,1-7H3/b20-11-
InChIKeyXYIOVSHKHAQLCX-JAIQZWGSSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.61
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane?
The IUPAC name of [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane (CID 102596956) is [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane.
What is the SMILES notation for [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane?
The canonical SMILES for [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane is CCCC/C=C(/C#CC1=CCC(C(C)(C)C)CC1)[Si](C)(C)C.
What is the InChIKey of [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane?
The InChIKey is XYIOVSHKHAQLCX-JAIQZWGSSA-N. The full InChI is InChI=1S/C21H36Si/c1-8-9-10-11-20(22(5,6)7)17-14-18-12-15-19(16-13-18)21(2,3)4/h11-12,19H,8-10,13,15-16H2,1-7H3/b20-11-.
What are the key properties of [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane?
[(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane has a molecular weight of 316.61 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-yn-3-yl]-trimethylsilane is sourced from PubChem (CID 102596956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).