tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane

C19H32O2Si — CID 134976296

IUPACtert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane
SMILESC=C(C#CC1=CCCOC1O[Si](C)(C)C(C)(C)C)CCCC
InChIInChI=1S/C19H32O2Si/c1-8-9-11-16(2)13-14-17-12-10-15-20-18(17)21-22(6,7)19(3,4)5/h12,18H,2,8-11,15H2,1,3-7H3
InChIKeyUWSFGBVZKMFLEN-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.43
Rot. Bonds5

About tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane

tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane (PubChem CID 134976296) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane
PubChem CID134976296
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane
SMILESC=C(C#CC1=CCCOC1O[Si](C)(C)C(C)(C)C)CCCC
InChIInChI=1S/C19H32O2Si/c1-8-9-11-16(2)13-14-17-12-10-15-20-18(17)21-22(6,7)19(3,4)5/h12,18H,2,8-11,15H2,1,3-7H3
InChIKeyUWSFGBVZKMFLEN-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tri(propan-2-yl)-[2-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]ethynyl]silane
CID 11267255
2-[(2R)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]ethynyl-tri(propan-2-yl)silane
CID 44556775
[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-1-ynyl]-trimethylsilane
CID 138963665
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane
CID 102163593

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane (CID 134976296) is tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane is C=C(C#CC1=CCCOC1O[Si](C)(C)C(C)(C)C)CCCC.
What is the InChIKey of tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane?
The InChIKey is UWSFGBVZKMFLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-8-9-11-16(2)13-14-17-12-10-15-20-18(17)21-22(6,7)19(3,4)5/h12,18H,2,8-11,15H2,1,3-7H3.
What are the key properties of tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane?
tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane has a molecular weight of 320.55 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[5-(3-methylidenehept-1-ynyl)-3,6-dihydro-2H-pyran-6-yl]oxy]silane is sourced from PubChem (CID 134976296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).