7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol

C20H34O2Si — CID 134884608

IUPAC7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OC1C#CCCCC(O)C#CCCC1
InChIInChI=1S/C20H34O2Si/c1-17(2)20(3,4)23(5,6)22-19-15-11-7-9-13-18(21)14-10-8-12-16-19/h17-19,21H,7-9,12-13,16H2,1-6H3
InChIKeyXDXCBUBXHUIOOC-UHFFFAOYSA-N
MW334.58 g/mol
LogP4.73
Rot. Bonds4

About 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol

7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol (PubChem CID 134884608) has the molecular formula C20H34O2Si and a molecular weight of 334.58 g/mol. Its IUPAC name is 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol.

Molecular Properties

Compound Name7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
PubChem CID134884608
Molecular FormulaC20H34O2Si
Molecular Weight334.58 g/mol
Exact Mass334.23
IUPAC Name7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol
SMILESCC(C)C(C)(C)[Si](C)(C)OC1C#CCCCC(O)C#CCCC1
InChIInChI=1S/C20H34O2Si/c1-17(2)20(3,4)23(5,6)22-19-15-11-7-9-13-18(21)14-10-8-12-16-19/h17-19,21H,7-9,12-13,16H2,1-6H3
InChIKeyXDXCBUBXHUIOOC-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.58
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol with MolForge

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Related Compounds

9-[Tert-butyl(dimethyl)silyl]oxy-3-methylundeca-1,5,10-triyn-4-ol
CID 11266709
1-[Tert-butyl(dimethyl)silyl]oxydec-5-yn-4-ol
CID 24787557
(2S,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methylhex-5-yn-1-ol
CID 134848527
(8S)-10-[tert-butyl(dimethyl)silyl]oxy-8-methyldec-4-yn-1-ol
CID 134860972
CID 134931502
CID 134931502
(2S,3S)-2-methyl-3-tri(propan-2-yl)silyloxyhex-4-yn-1-ol
CID 135017386
(2R,5S,10R)-2,10-bis[[tert-butyl(dimethyl)silyl]oxy]undec-6-yn-5-ol
CID 135019170
(2R,3R,4R)-1-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhept-5-yn-3-ol
CID 135079167
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-1-ol
CID 138980520
(3R,4S)-4-methyl-3-triethylsilyloxy-6-trimethylsilylhex-5-yn-1-ol
CID 72374910
2,3-Dimethylbutan-2-yl-[10-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-yl]oxy-dimethylsilane
CID 102446290
12-(Tert-Butyldimethylsilyloxy)-5,7-dodecadiyn-1-ol
CID 19940089

Frequently Asked Questions

What is the IUPAC name of 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol?
The IUPAC name of 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol (CID 134884608) is 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol.
What is the SMILES notation for 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol?
The canonical SMILES for 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol is CC(C)C(C)(C)[Si](C)(C)OC1C#CCCCC(O)C#CCCC1.
What is the InChIKey of 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol?
The InChIKey is XDXCBUBXHUIOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2Si/c1-17(2)20(3,4)23(5,6)22-19-15-11-7-9-13-18(21)14-10-8-12-16-19/h17-19,21H,7-9,12-13,16H2,1-6H3.
What are the key properties of 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol?
7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol has a molecular weight of 334.58 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxycyclododeca-2,8-diyn-1-ol is sourced from PubChem (CID 134884608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).