tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane

C20H36OSi — CID 132938840

IUPACtert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane
SMILESC=C/C(C)=C/CC[C@@H](C=C=CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-10-18(4)14-12-16-19(15-11-13-17(2)3)21-22(8,9)20(5,6)7/h10,13-15,17,19H,1,12,16H2,2-9H3/b18-14+/t11?,19-/m1/s1
InChIKeyJAVQPCHPXRCQTR-YVMNPGJGSA-N
MW320.59 g/mol
LogP6.66
Rot. Bonds8

About tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane

tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane (PubChem CID 132938840) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane
PubChem CID132938840
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane
SMILESC=C/C(C)=C/CC[C@@H](C=C=CC(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H36OSi/c1-10-18(4)14-12-16-19(15-11-13-17(2)3)21-22(8,9)20(5,6)7/h10,13-15,17,19H,1,12,16H2,2-9H3/b18-14+/t11?,19-/m1/s1
InChIKeyJAVQPCHPXRCQTR-YVMNPGJGSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.66
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'}

Analyze tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(4E,6E,8E)-trideca-4,6,8,12-tetraenoxy]silane
CID 134866952
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
2-Triisobutylsilyloxyoct-3-ene
CID 5353180
2-Tripropylsilyloxyoct-3-ene
CID 5353192
2-Tributylsilyloxyoct-3-ene
CID 5353200
tert-butyl-dimethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 88924821
trimethyl-[(3E,8E)-9-methylundeca-1,3,8,10-tetraen-5-yl]oxysilane
CID 10658360
trimethyl-[(4S,5E)-2-(tributylstannylmethyl)octa-1,5,7-trien-4-yl]oxysilane
CID 10973130
triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
CID 11139703
tert-butyl-[(2R,3E,5E)-2,4-dimethyldeca-3,5-dienoxy]-dimethylsilane
CID 11208696
[(4Z,6E)-7,11-dimethyldodeca-4,6,10-trienoxy]-tri(propan-2-yl)silane
CID 11279999
tert-butyl-dimethyl-[(1R)-4-methylidenecyclohex-2-en-1-yl]oxysilane
CID 11401850

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane (CID 132938840) is tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane is C=C/C(C)=C/CC[C@@H](C=C=CC(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane?
The InChIKey is JAVQPCHPXRCQTR-YVMNPGJGSA-N. The full InChI is InChI=1S/C20H36OSi/c1-10-18(4)14-12-16-19(15-11-13-17(2)3)21-22(8,9)20(5,6)7/h10,13-15,17,19H,1,12,16H2,2-9H3/b18-14+/t11?,19-/m1/s1.
What are the key properties of tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane?
tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane has a molecular weight of 320.59 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(6S,9E)-2,10-dimethyldodeca-3,4,9,11-tetraen-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 132938840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).