2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane

C15H26Si — CID 10944395

IUPAC2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane
SMILESCCCCCCC1=C(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H26Si/c1-5-6-7-8-9-14-10-11-15(14)12-13-16(2,3)4/h5-11H2,1-4H3
InChIKeySMYFRZGCISCBLF-UHFFFAOYSA-N
MW234.46 g/mol
LogP4.93
Rot. Bonds5

About 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane

2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane (PubChem CID 10944395) has the molecular formula C15H26Si and a molecular weight of 234.46 g/mol. Its IUPAC name is 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane
PubChem CID10944395
Molecular FormulaC15H26Si
Molecular Weight234.46 g/mol
Exact Mass234.18
IUPAC Name2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane
SMILESCCCCCCC1=C(C#C[Si](C)(C)C)CC1
InChIInChI=1S/C15H26Si/c1-5-6-7-8-9-14-10-11-15(14)12-13-16(2,3)4/h5-11H2,1-4H3
InChIKeySMYFRZGCISCBLF-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 54.93
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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Related Compounds

(2-Heptylcyclopropen-1-yl)-trimethylsilane
CID 54762381
Trimethyl-(2-prop-1-ynylcyclopenten-1-yl)silane
CID 91164749
trimethyl-[(E)-4-methyl-3-propan-2-yloct-3-en-1-ynyl]silane
CID 134977780
Silane, (2-hexyl-1-cyclopenten-1-yl)trimethyl-
CID 553181
2-Octyl-1-trimethylsilylcyclopropene
CID 11138789
Trimethyl-[2-(2-methyl-4-methylidenecyclohexen-1-yl)ethynyl]silane
CID 123529811
trimethyl-[2-[(5R)-2-methyl-4-methylidene-5-tritiocyclohexen-1-yl]ethynyl]silane
CID 140605683
[(Z)-3-butyl-4-ethyldec-3-en-1,5-diynyl]-trimethylsilane
CID 10017015
Trimethyl-(2-pentylcyclohexen-1-yl)silane
CID 10443628
2-[(1Z)-cyclododecen-1-yl]ethynyl-trimethylsilane
CID 10515650
(2-Butylcyclobuten-1-yl)-trimethylsilane
CID 10535451
1-Butyl-2-hex-1-ynylcyclobutene
CID 10559594

Frequently Asked Questions

What is the IUPAC name of 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane (CID 10944395) is 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane is CCCCCCC1=C(C#C[Si](C)(C)C)CC1.
What is the InChIKey of 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane?
The InChIKey is SMYFRZGCISCBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Si/c1-5-6-7-8-9-14-10-11-15(14)12-13-16(2,3)4/h5-11H2,1-4H3.
What are the key properties of 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane?
2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane has a molecular weight of 234.46 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hexylcyclobuten-1-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 10944395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).