(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane

C21H32OSi — CID 102466801

IUPAC(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(=C(C)C)C(C)CC#Cc1ccccc1
InChIInChI=1S/C21H32OSi/c1-7-23(8-2,9-3)22-21(18(4)5)19(6)14-13-17-20-15-11-10-12-16-20/h10-12,15-16,19H,7-9,14H2,1-6H3
InChIKeyXTAKKTOGTYLYPS-UHFFFAOYSA-N
MW328.57 g/mol
LogP6.38
Rot. Bonds7

About (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane

(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane (PubChem CID 102466801) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane.

Molecular Properties

Compound Name(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane
PubChem CID102466801
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane
SMILESCC[Si](CC)(CC)OC(=C(C)C)C(C)CC#Cc1ccccc1
InChIInChI=1S/C21H32OSi/c1-7-23(8-2,9-3)22-21(18(4)5)19(6)14-13-17-20-15-11-10-12-16-20/h10-12,15-16,19H,7-9,14H2,1-6H3
InChIKeyXTAKKTOGTYLYPS-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane?
The IUPAC name of (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane (CID 102466801) is (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane.
What is the SMILES notation for (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane?
The canonical SMILES for (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane is CC[Si](CC)(CC)OC(=C(C)C)C(C)CC#Cc1ccccc1.
What is the InChIKey of (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane?
The InChIKey is XTAKKTOGTYLYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32OSi/c1-7-23(8-2,9-3)22-21(18(4)5)19(6)14-13-17-20-15-11-10-12-16-20/h10-12,15-16,19H,7-9,14H2,1-6H3.
What are the key properties of (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane?
(2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane has a molecular weight of 328.57 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-7-phenylhept-2-en-6-yn-3-yl)oxy-triethylsilane is sourced from PubChem (CID 102466801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).