trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane

C19H32OSi — CID 101417967

IUPACtrimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane
SMILESCC1=C=CCC(C)(C)/C=C\C(O[Si](C)(C)C)/C(C)=C/CC1
InChIInChI=1S/C19H32OSi/c1-16-10-8-12-17(2)18(20-21(5,6)7)13-15-19(3,4)14-9-11-16/h9,12-13,15,18H,8,10,14H2,1-7H3/b15-13-,17-12+
InChIKeyRLGRIYHEYYFOBC-WUEPNDDFSA-N
MW304.55 g/mol
LogP6.02
Rot. Bonds2

About trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane

trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane (PubChem CID 101417967) has the molecular formula C19H32OSi and a molecular weight of 304.55 g/mol. Its IUPAC name is trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane
PubChem CID101417967
Molecular FormulaC19H32OSi
Molecular Weight304.55 g/mol
Exact Mass304.22
IUPAC Nametrimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane
SMILESCC1=C=CCC(C)(C)/C=C\C(O[Si](C)(C)C)/C(C)=C/CC1
InChIInChI=1S/C19H32OSi/c1-16-10-8-12-17(2)18(20-21(5,6)7)13-15-19(3,4)14-9-11-16/h9,12-13,15,18H,8,10,14H2,1-7H3/b15-13-,17-12+
InChIKeyRLGRIYHEYYFOBC-WUEPNDDFSA-N
XLogP6.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.55
LogP ≤ 56.02
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'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane?
The IUPAC name of trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane (CID 101417967) is trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane.
What is the SMILES notation for trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane?
The canonical SMILES for trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane is CC1=C=CCC(C)(C)/C=C\C(O[Si](C)(C)C)/C(C)=C/CC1.
What is the InChIKey of trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane?
The InChIKey is RLGRIYHEYYFOBC-WUEPNDDFSA-N. The full InChI is InChI=1S/C19H32OSi/c1-16-10-8-12-17(2)18(20-21(5,6)7)13-15-19(3,4)14-9-11-16/h9,12-13,15,18H,8,10,14H2,1-7H3/b15-13-,17-12+.
What are the key properties of trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane?
trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane has a molecular weight of 304.55 g/mol, XLogP of 6.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(2E,11Z)-2,6,10,10-tetramethylcyclododeca-2,6,7,11-tetraen-1-yl]oxysilane is sourced from PubChem (CID 101417967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).