tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane

C23H42O2Si — CID 161097710

IUPACtert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
SMILESC/C=C/[C@@H]1O[C@@H]1/C=C\C[C@H](C)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-11-14-19-20(24-19)17-13-16-18(3)23(7,8)21(15-12-2)25-26(9,10)22(4,5)6/h11-15,17-21H,16H2,1-10H3/b14-11+,15-12+,17-13-/t18-,19-,20+,21-/m0/s1
InChIKeyZCLTZIWTQWLAGI-XEYMYUCESA-N
MW378.67 g/mol
LogP6.91
Rot. Bonds9

About tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane (PubChem CID 161097710) has the molecular formula C23H42O2Si and a molecular weight of 378.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
PubChem CID161097710
Molecular FormulaC23H42O2Si
Molecular Weight378.67 g/mol
Exact Mass378.30
IUPAC Nametert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
SMILESC/C=C/[C@@H]1O[C@@H]1/C=C\C[C@H](C)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H42O2Si/c1-11-14-19-20(24-19)17-13-16-18(3)23(7,8)21(15-12-2)25-26(9,10)22(4,5)6/h11-15,17-21H,16H2,1-10H3/b14-11+,15-12+,17-13-/t18-,19-,20+,21-/m0/s1
InChIKeyZCLTZIWTQWLAGI-XEYMYUCESA-N
XLogP6.91
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.67
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane
CID 162082005
tert-butyl-[(Z,1S,3S)-2,2-dimethyl-1-[(E)-prop-1-enyl]-6-[(2R,3S)-3-[(E)-2-tributylstannylethenyl]oxiran-2-yl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 172847084
tert-butyl-[(Z)-2,2-dimethyl-1-[(E)-prop-1-enyl]-6-[(2R,3S)-3-[(E)-2-tributylstannylethenyl]oxiran-2-yl]-3-trimethylsilyloxyhex-5-enoxy]-dimethylsilane
CID 173943750
tert-butyl-[(2S)-2-[(2R)-2-[(E,2S)-6-methoxy-6-methylhept-4-en-2-yl]oxiran-2-yl]but-3-en-2-yl]oxy-dimethylsilane
CID 11810732
tert-butyl-[(1R,5S)-5-tert-butylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 13525710
tert-butyl-[(1R,5R)-5-tert-butylcyclohex-2-en-1-yl]oxy-dimethylsilane
CID 13525711
[(2R)-2-[(3S,4Z)-3-ethenyl-3-methyl-4-(1-trimethylsilylbut-3-enylidene)oxolan-2-yl]propoxy]-tri(propan-2-yl)silane
CID 101473266

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane (CID 161097710) is tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane is C/C=C/[C@@H]1O[C@@H]1/C=C\C[C@H](C)C(C)(C)[C@H](/C=C/C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane?
The InChIKey is ZCLTZIWTQWLAGI-XEYMYUCESA-N. The full InChI is InChI=1S/C23H42O2Si/c1-11-14-19-20(24-19)17-13-16-18(3)23(7,8)21(15-12-2)25-26(9,10)22(4,5)6/h11-15,17-21H,16H2,1-10H3/b14-11+,15-12+,17-13-/t18-,19-,20+,21-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane?
tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane has a molecular weight of 378.67 g/mol, XLogP of 6.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4S,6S,8Z)-5,5,6-trimethyl-9-[(2R,3S)-3-[(E)-prop-1-enyl]oxiran-2-yl]nona-2,8-dien-4-yl]oxysilane is sourced from PubChem (CID 161097710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).