[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane

C18H28Si — CID 177389159

IUPAC[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane
SMILESC/C=C(/C#C[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28Si/c1-5-17(6-7-19(2,3)4)18-11-14-8-15(12-18)10-16(9-14)13-18/h5,14-16H,8-13H2,1-4H3/b17-5-
InChIKeyNGYKIFVPJJQHBM-ZWSORDCHSA-N
MW272.51 g/mol
LogP5.03
Rot. Bonds1

About [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane

[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane (PubChem CID 177389159) has the molecular formula C18H28Si and a molecular weight of 272.51 g/mol. Its IUPAC name is [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane
PubChem CID177389159
Molecular FormulaC18H28Si
Molecular Weight272.51 g/mol
Exact Mass272.20
IUPAC Name[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane
SMILESC/C=C(/C#C[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28Si/c1-5-17(6-7-19(2,3)4)18-11-14-8-15(12-18)10-16(9-14)13-18/h5,14-16H,8-13H2,1-4H3/b17-5-
InChIKeyNGYKIFVPJJQHBM-ZWSORDCHSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1-[(Z)-but-2-en-2-yl]-3-ethynyladamantane
CID 58460568
1-But-2-en-2-yl-3-ethynyladamantane
CID 58835491
[3-(2-Adamantylidene)-5-trimethylsilylpenta-1,4-diynyl]-trimethylsilane
CID 10688552
[4-(1-Adamantyl)-3-methylbuta-1,2-dienyl]-trimethylsilane
CID 51349625
[2-[3-(2-Adamantylidene)propyl]cyclopropen-1-yl]-trimethylsilane
CID 101516444
1-[2-(Cyclohexen-1-yl)ethynyl]adamantane
CID 102212342
[3-[2-(1-Adamantyl)ethynyl]-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]-triethylsilane
CID 102353048
1-[(Z)-2-propan-2-yloct-1-en-3-ynyl]adamantane
CID 102381381

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane (CID 177389159) is [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane is C/C=C(/C#C[Si](C)(C)C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is NGYKIFVPJJQHBM-ZWSORDCHSA-N. The full InChI is InChI=1S/C18H28Si/c1-5-17(6-7-19(2,3)4)18-11-14-8-15(12-18)10-16(9-14)13-18/h5,14-16H,8-13H2,1-4H3/b17-5-.
What are the key properties of [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane?
[(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 272.51 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(1-adamantyl)pent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 177389159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).