tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane

C28H48OSi — CID 102573368

IUPACtert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
SMILESCCC(=C=C/C(C)=C/CC1=C(C)CCCC1(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H48OSi/c1-12-25(23(3)19-21-29-30(10,11)27(5,6)7)17-15-22(2)16-18-26-24(4)14-13-20-28(26,8)9/h15-16,19H,12-14,18,20-21H2,1-11H3/b22-16+,23-19+
InChIKeyJYZFPPGIADIHLU-SZAMPSRSSA-N
MW428.78 g/mol
LogP9.31
Rot. Bonds8

About tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane (PubChem CID 102573368) has the molecular formula C28H48OSi and a molecular weight of 428.78 g/mol. Its IUPAC name is tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
PubChem CID102573368
Molecular FormulaC28H48OSi
Molecular Weight428.78 g/mol
Exact Mass428.35
IUPAC Nametert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane
SMILESCCC(=C=C/C(C)=C/CC1=C(C)CCCC1(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H48OSi/c1-12-25(23(3)19-21-29-30(10,11)27(5,6)7)17-15-22(2)16-18-26-24(4)14-13-20-28(26,8)9/h15-16,19H,12-14,18,20-21H2,1-11H3/b22-16+,23-19+
InChIKeyJYZFPPGIADIHLU-SZAMPSRSSA-N
XLogP9.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.78
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane (CID 102573368) is tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane is CCC(=C=C/C(C)=C/CC1=C(C)CCCC1(C)C)/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane?
The InChIKey is JYZFPPGIADIHLU-SZAMPSRSSA-N. The full InChI is InChI=1S/C28H48OSi/c1-12-25(23(3)19-21-29-30(10,11)27(5,6)7)17-15-22(2)16-18-26-24(4)14-13-20-28(26,8)9/h15-16,19H,12-14,18,20-21H2,1-11H3/b22-16+,23-19+.
What are the key properties of tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane?
tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane has a molecular weight of 428.78 g/mol, XLogP of 9.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,7E)-4-ethyl-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,5,7-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 102573368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).