tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane

C26H44OSi — CID 10644708

IUPACtert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=C\C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44OSi/c1-21(16-17-24-23(3)15-12-19-26(24,7)8)13-11-14-22(2)18-20-27-28(9,10)25(4,5)6/h11,13-18,24H,12,19-20H2,1-10H3/b14-11+,17-16+,21-13-,22-18+
InChIKeyMCBIDBPCDBVXNO-CHOXORPOSA-N
MW400.72 g/mol
LogP8.40
Rot. Bonds7

About tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane (PubChem CID 10644708) has the molecular formula C26H44OSi and a molecular weight of 400.72 g/mol. Its IUPAC name is tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
PubChem CID10644708
Molecular FormulaC26H44OSi
Molecular Weight400.72 g/mol
Exact Mass400.32
IUPAC Nametert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
SMILESCC1=CCCC(C)(C)C1/C=C/C(C)=C\C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C26H44OSi/c1-21(16-17-24-23(3)15-12-19-26(24,7)8)13-11-14-22(2)18-20-27-28(9,10)25(4,5)6/h11,13-18,24H,12,19-20H2,1-10H3/b14-11+,17-16+,21-13-,22-18+
InChIKeyMCBIDBPCDBVXNO-CHOXORPOSA-N
XLogP8.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.72
LogP ≤ 58.40
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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Related Compounds

Retin, 15-[(trimethylsilyl)oxy]-, (11-cis,13-cis)-
CID 165362841
Silane, [[3,7-dimethyl-9-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-3,5,7-nonatrienyl]oxy]trimethyl-
CID 5366798
tri(propan-2-yl)-[(1E,3E)-1-(trifluoromethoxy)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)buta-1,3-dien-2-yl]oxysilane
CID 176244071
(3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)-2-tri(propan-2-yl)silylbuta-1,3-dien-1-one
CID 10497808
tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
CID 10905468
(2,4-Dimethyl-4-pent-4-enylcyclohexa-1,5-dien-1-yl)oxy-tri(propan-2-yl)silane
CID 11198863
tert-butyl-[(2Z)-2-(3,3-dimethylcyclohexylidene)ethoxy]-dimethylsilane
CID 134978982
tert-butyl-[(2E)-2-(4,4-dimethyl-2-methylidenecyclopentylidene)ethoxy]-dimethylsilane
CID 134993691
tert-butyl-[(E,2S,5S)-5-cyclohepta-2,4,6-trien-1-yl-2,5-dimethylhept-3-enoxy]-dimethylsilane
CID 154712103
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-trimethylsilane
CID 5366575
t-Butyl-dimethyl-[4-(2,6,6-trimethyl-cyclohex-2-enyl)-buta-1,3-dienyloxy]-silane
CID 5366890
Silane, (1,1-dimethylethyl)dimethyl[[2-methyl-3-(2,6,6-trimethyl-2-cyclohexen-1-ylidene)-1-propenyl]oxy]-
CID 5366892

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane (CID 10644708) is tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane is CC1=CCCC(C)(C)C1/C=C/C(C)=C\C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?
The InChIKey is MCBIDBPCDBVXNO-CHOXORPOSA-N. The full InChI is InChI=1S/C26H44OSi/c1-21(16-17-24-23(3)15-12-19-26(24,7)8)13-11-14-22(2)18-20-27-28(9,10)25(4,5)6/h11,13-18,24H,12,19-20H2,1-10H3/b14-11+,17-16+,21-13-,22-18+.
What are the key properties of tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?
tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane has a molecular weight of 400.72 g/mol, XLogP of 8.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 10644708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).