tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane

C19H36OSi — CID 138970957

IUPACtert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane
SMILESC=C/C=C(C)/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-11-13-15(3)16(4)14-17(5)18(12-2)20-21(9,10)19(6,7)8/h11,13-14,17-18H,1,12H2,2-10H3/b15-13+,16-14+/t17-,18+/m1/s1
InChIKeyVEFFAAGZPLAHSY-MTSYIRKZSA-N
MW308.58 g/mol
LogP6.50
Rot. Bonds7

About tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane

tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane (PubChem CID 138970957) has the molecular formula C19H36OSi and a molecular weight of 308.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane
PubChem CID138970957
Molecular FormulaC19H36OSi
Molecular Weight308.58 g/mol
Exact Mass308.25
IUPAC Nametert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane
SMILESC=C/C=C(C)/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi/c1-11-13-15(3)16(4)14-17(5)18(12-2)20-21(9,10)19(6,7)8/h11,13-14,17-18H,1,12H2,2-10H3/b15-13+,16-14+/t17-,18+/m1/s1
InChIKeyVEFFAAGZPLAHSY-MTSYIRKZSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.58
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane (CID 138970957) is tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane is C=C/C=C(C)/C(C)=C/[C@@H](C)[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane?
The InChIKey is VEFFAAGZPLAHSY-MTSYIRKZSA-N. The full InChI is InChI=1S/C19H36OSi/c1-11-13-15(3)16(4)14-17(5)18(12-2)20-21(9,10)19(6,7)8/h11,13-14,17-18H,1,12H2,2-10H3/b15-13+,16-14+/t17-,18+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane has a molecular weight of 308.58 g/mol, XLogP of 6.50, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3S,4R,5E,7E)-4,6,7-trimethyldeca-5,7,9-trien-3-yl]oxysilane is sourced from PubChem (CID 138970957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).