tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane

C17H34OSi — CID 11254568

IUPACtert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane
SMILESC=C(C)/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-12,14-16H,1H2,2-10H3/b12-11-/t15-,16+/m0/s1
InChIKeyCPXJFNDSBSTOEN-YSANFCEKSA-N
MW282.54 g/mol
LogP5.80
Rot. Bonds6

About tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane

tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane (PubChem CID 11254568) has the molecular formula C17H34OSi and a molecular weight of 282.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane
PubChem CID11254568
Molecular FormulaC17H34OSi
Molecular Weight282.54 g/mol
Exact Mass282.24
IUPAC Nametert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane
SMILESC=C(C)/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-12,14-16H,1H2,2-10H3/b12-11-/t15-,16+/m0/s1
InChIKeyCPXJFNDSBSTOEN-YSANFCEKSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.54
LogP ≤ 55.80
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-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane (CID 11254568) is tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane is C=C(C)/C=C\[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane?
The InChIKey is CPXJFNDSBSTOEN-YSANFCEKSA-N. The full InChI is InChI=1S/C17H34OSi/c1-13(2)11-12-15(5)16(14(3)4)18-19(9,10)17(6,7)8/h11-12,14-16H,1H2,2-10H3/b12-11-/t15-,16+/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane?
tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane has a molecular weight of 282.54 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(3R,4S,5Z)-2,4,7-trimethylocta-5,7-dien-3-yl]oxysilane is sourced from PubChem (CID 11254568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).