2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol

C17H34OSi2 — CID 10957889

IUPAC2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C17H34OSi2/c1-15(2)13-17(18,11-12-19(5,6)7)14-16(3,4)20(8,9)10/h13,18H,14H2,1-10H3
InChIKeyRFPZLBXVGUWBEI-UHFFFAOYSA-N
MW310.63 g/mol
LogP5.07
Rot. Bonds4

About 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol

2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol (PubChem CID 10957889) has the molecular formula C17H34OSi2 and a molecular weight of 310.63 g/mol. Its IUPAC name is 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol.

Molecular Properties

Compound Name2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol
PubChem CID10957889
Molecular FormulaC17H34OSi2
Molecular Weight310.63 g/mol
Exact Mass310.21
IUPAC Name2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol
SMILESCC(C)=CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C
InChIInChI=1S/C17H34OSi2/c1-15(2)13-17(18,11-12-19(5,6)7)14-16(3,4)20(8,9)10/h13,18H,14H2,1-10H3
InChIKeyRFPZLBXVGUWBEI-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.63
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Trimethylsilylethynyl-2-cyclopentenol
CID 129695433
1-[3-Tri(propan-2-yl)silylprop-2-ynyl]cyclohex-2-en-1-ol
CID 12885230
6-Methyl-3-(2-methyl-2-trimethylsilylpropyl)-4-hexene-1-yn-3-ol
CID 129708269
3,7-Dimethyl-2-trimethylsilylocta-1,6-dien-3-ol
CID 134889760
1-(3-Trimethylsilylprop-2-ynyl)cyclopent-2-en-1-ol
CID 11252554
(6E,10E)-12-[tert-butyl(dimethyl)silyl]oxy-3,7,11-trimethyldodeca-6,10-dien-1-yn-3-ol
CID 15237476
1-(2-Trimethylsilylethynyl)cyclohex-2-en-1-ol
CID 46176726
2-Methyl-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
CID 172756628
4,6-Dimethyl-1-trimethylsilylhept-5-en-1-yn-4-ol
CID 10058971
(2E,4S)-4,8-dimethyl-1-trimethylsilylnona-2,7-dien-4-ol
CID 11021034
3,7-Dimethyl-1-(trimethylsilyl)oct-6-EN-1-YN-3-OL
CID 12696501
1,5-Bis[tert-butyl(dimethyl)silyl]-3-(cyclohexen-1-yl)penta-1,4-diyn-3-ol
CID 24808739

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The IUPAC name of 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol (CID 10957889) is 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol.
What is the SMILES notation for 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The canonical SMILES for 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol is CC(C)=CC(O)(C#C[Si](C)(C)C)CC(C)(C)[Si](C)(C)C.
What is the InChIKey of 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol?
The InChIKey is RFPZLBXVGUWBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34OSi2/c1-15(2)13-17(18,11-12-19(5,6)7)14-16(3,4)20(8,9)10/h13,18H,14H2,1-10H3.
What are the key properties of 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol?
2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol has a molecular weight of 310.63 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-6-trimethylsilyl-4-(2-trimethylsilylethynyl)hept-2-en-4-ol is sourced from PubChem (CID 10957889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).