tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane

C25H42OSi — CID 11760857

IUPACtert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane
SMILESCC1=C(/C=C/C=C/C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C25H42OSi/c1-21(18-20-26-27(8,9)24(3,4)5)15-12-10-11-13-17-23-22(2)16-14-19-25(23,6)7/h10-13,15,17-18H,14,16,19-20H2,1-9H3/b11-10+,15-12-,17-13+,21-18+
InChIKeyHDDXDZVVMGMGFK-DXKJKTNBSA-N
MW386.70 g/mol
LogP8.15
Rot. Bonds7

About tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane

tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane (PubChem CID 11760857) has the molecular formula C25H42OSi and a molecular weight of 386.70 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane
PubChem CID11760857
Molecular FormulaC25H42OSi
Molecular Weight386.70 g/mol
Exact Mass386.30
IUPAC Nametert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane
SMILESCC1=C(/C=C/C=C/C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
InChIInChI=1S/C25H42OSi/c1-21(18-20-26-27(8,9)24(3,4)5)15-12-10-11-13-17-23-22(2)16-14-19-25(23,6)7/h10-13,15,17-18H,14,16,19-20H2,1-9H3/b11-10+,15-12-,17-13+,21-18+
InChIKeyHDDXDZVVMGMGFK-DXKJKTNBSA-N
XLogP8.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.70
LogP ≤ 58.15
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-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane (CID 11760857) is tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane is CC1=C(/C=C/C=C/C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1.
What is the InChIKey of tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane?
The InChIKey is HDDXDZVVMGMGFK-DXKJKTNBSA-N. The full InChI is InChI=1S/C25H42OSi/c1-21(18-20-26-27(8,9)24(3,4)5)15-12-10-11-13-17-23-22(2)16-14-19-25(23,6)7/h10-13,15,17-18H,14,16,19-20H2,1-9H3/b11-10+,15-12-,17-13+,21-18+.
What are the key properties of tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane?
tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane has a molecular weight of 386.70 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2E,4Z,6E,8E)-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]silane is sourced from PubChem (CID 11760857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).