7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal

C21H38O2Si — CID 86086414

IUPAC7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal
SMILESC=CCC(C)(C)C(C#CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-10-15-21(8,9)20(14-12-11-13-16-22)23-24(17(2)3,18(4)5)19(6)7/h10,16-20H,1,11,13,15H2,2-9H3
InChIKeyUDZHZITVIMFGSZ-UHFFFAOYSA-N
MW350.62 g/mol
LogP6.13
Rot. Bonds10

About 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal

7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal (PubChem CID 86086414) has the molecular formula C21H38O2Si and a molecular weight of 350.62 g/mol. Its IUPAC name is 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal.

Molecular Properties

Compound Name7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal
PubChem CID86086414
Molecular FormulaC21H38O2Si
Molecular Weight350.62 g/mol
Exact Mass350.26
IUPAC Name7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal
SMILESC=CCC(C)(C)C(C#CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C21H38O2Si/c1-10-15-21(8,9)20(14-12-11-13-16-22)23-24(17(2)3,18(4)5)19(6)7/h10,16-20H,1,11,13,15H2,2-9H3
InChIKeyUDZHZITVIMFGSZ-UHFFFAOYSA-N
XLogP6.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

tert-butyl-[(3S)-9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 134865047
7-[Tert-butyl(dimethyl)silyl]oxy-2,8,8-trimethylundec-10-en-4-yn-3-one
CID 11131517
Tert-butyl-[9,9-dimethyl-8-tri(propan-2-yl)silyloxydodec-11-en-1,6-diyn-3-yl]oxy-dimethylsilane
CID 11598363
Tert-butyl-(1-ethoxy-4,4-dimethylhept-6-en-1-yn-3-yl)oxy-dimethylsilane
CID 12965687

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal?
The IUPAC name of 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal (CID 86086414) is 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal.
What is the SMILES notation for 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal?
The canonical SMILES for 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal is C=CCC(C)(C)C(C#CCCC=O)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal?
The InChIKey is UDZHZITVIMFGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O2Si/c1-10-15-21(8,9)20(14-12-11-13-16-22)23-24(17(2)3,18(4)5)19(6)7/h10,16-20H,1,11,13,15H2,2-9H3.
What are the key properties of 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal?
7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal has a molecular weight of 350.62 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-tri(propan-2-yl)silyloxydec-9-en-4-ynal is sourced from PubChem (CID 86086414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).