(2-hex-1-ynylphenyl)-trimethylsilane

C15H22Si — CID 139650960

IUPAC(2-hex-1-ynylphenyl)-trimethylsilane
SMILESCCCCC#Cc1ccccc1[Si](C)(C)C
InChIInChI=1S/C15H22Si/c1-5-6-7-8-11-14-12-9-10-13-15(14)16(2,3)4/h9-10,12-13H,5-7H2,1-4H3
InChIKeyBYMAFEGOIOJFBJ-UHFFFAOYSA-N
MW230.43 g/mol
LogP3.77
Rot. Bonds3

About (2-hex-1-ynylphenyl)-trimethylsilane

(2-hex-1-ynylphenyl)-trimethylsilane (PubChem CID 139650960) has the molecular formula C15H22Si and a molecular weight of 230.43 g/mol. Its IUPAC name is (2-hex-1-ynylphenyl)-trimethylsilane.

Molecular Properties

Compound Name(2-hex-1-ynylphenyl)-trimethylsilane
PubChem CID139650960
Molecular FormulaC15H22Si
Molecular Weight230.43 g/mol
Exact Mass230.15
IUPAC Name(2-hex-1-ynylphenyl)-trimethylsilane
SMILESCCCCC#Cc1ccccc1[Si](C)(C)C
InChIInChI=1S/C15H22Si/c1-5-6-7-8-11-14-12-9-10-13-15(14)16(2,3)4/h9-10,12-13H,5-7H2,1-4H3
InChIKeyBYMAFEGOIOJFBJ-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.43
LogP ≤ 53.77
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

1,2-bis(oct-1-ynyl)benzene
CID 11087701
1-hex-1-ynylnaphthalene
CID 11769709
2-[2-(2-hept-1-ynylphenyl)ethynyl]benzonitrile
CID 11077353
1-fluoro-2-tridec-1-ynylbenzene
CID 162401723
2-hex-1-ynylbenzoyl chloride
CID 10727684
N-[(2-hex-1-ynylphenyl)methyl]-2-methylpropan-2-amine
CID 11322492
1-hex-1-ynyl-2-(phenylselanylmethyl)benzene
CID 102047618
1-diethoxyphosphoryl-2-hex-1-ynylbenzene
CID 12988807
1-hept-1-ynyl-2,3-dimethylbenzene
CID 146003227
1-hex-1-ynyl-2-(1-phenylpropa-1,2-dienyl)benzene
CID 101122268
2-hex-1-ynylpyridine-3-carbonitrile
CID 14090389
1-(5-chloropent-1-ynyl)-2-methylbenzene
CID 112554310

Frequently Asked Questions

What is the IUPAC name of (2-hex-1-ynylphenyl)-trimethylsilane?
The IUPAC name of (2-hex-1-ynylphenyl)-trimethylsilane (CID 139650960) is (2-hex-1-ynylphenyl)-trimethylsilane.
What is the SMILES notation for (2-hex-1-ynylphenyl)-trimethylsilane?
The canonical SMILES for (2-hex-1-ynylphenyl)-trimethylsilane is CCCCC#Cc1ccccc1[Si](C)(C)C.
What is the InChIKey of (2-hex-1-ynylphenyl)-trimethylsilane?
The InChIKey is BYMAFEGOIOJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Si/c1-5-6-7-8-11-14-12-9-10-13-15(14)16(2,3)4/h9-10,12-13H,5-7H2,1-4H3.
What are the key properties of (2-hex-1-ynylphenyl)-trimethylsilane?
(2-hex-1-ynylphenyl)-trimethylsilane has a molecular weight of 230.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hex-1-ynylphenyl)-trimethylsilane is sourced from PubChem (CID 139650960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).