12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol

C18H32O2Si — CID 19940089

IUPAC12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC#CCCCCO
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h19H,10-17H2,1-5H3
InChIKeyAKAITZXYLFNLDZ-UHFFFAOYSA-N
MW308.54 g/mol
LogP4.35
Rot. Bonds8

About 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol

12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol (PubChem CID 19940089) has the molecular formula C18H32O2Si and a molecular weight of 308.54 g/mol. Its IUPAC name is 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol.

Molecular Properties

Compound Name12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol
PubChem CID19940089
Molecular FormulaC18H32O2Si
Molecular Weight308.54 g/mol
Exact Mass308.22
IUPAC Name12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC#CCCCCO
InChIInChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h19H,10-17H2,1-5H3
InChIKeyAKAITZXYLFNLDZ-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.54
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol?
The IUPAC name of 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol (CID 19940089) is 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol.
What is the SMILES notation for 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol?
The canonical SMILES for 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol is CC(C)(C)[Si](C)(C)OCCCCC#CC#CCCCCO.
What is the InChIKey of 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol?
The InChIKey is AKAITZXYLFNLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2Si/c1-18(2,3)21(4,5)20-17-15-13-11-9-7-6-8-10-12-14-16-19/h19H,10-17H2,1-5H3.
What are the key properties of 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol?
12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol has a molecular weight of 308.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[tert-butyl(dimethyl)silyl]oxydodeca-5,7-diyn-1-ol is sourced from PubChem (CID 19940089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).