trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane

C16H28OSi — CID 19898509

IUPACtrimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
SMILESC=C/C=C(\O[Si](C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,10H,1,9,11-12H2,2-7H3/b14-10-
InChIKeyIDZROJWWFAYCKH-UVTDQMKNSA-N
MW264.49 g/mol
LogP5.43
Rot. Bonds4

About trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane

trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane (PubChem CID 19898509) has the molecular formula C16H28OSi and a molecular weight of 264.49 g/mol. Its IUPAC name is trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane.

Molecular Properties

Compound Nametrimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
PubChem CID19898509
Molecular FormulaC16H28OSi
Molecular Weight264.49 g/mol
Exact Mass264.19
IUPAC Nametrimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane
SMILESC=C/C=C(\O[Si](C)(C)C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,10H,1,9,11-12H2,2-7H3/b14-10-
InChIKeyIDZROJWWFAYCKH-UVTDQMKNSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The IUPAC name of trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane (CID 19898509) is trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane.
What is the SMILES notation for trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The canonical SMILES for trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane is C=C/C=C(\O[Si](C)(C)C)C1=C(C)CCCC1(C)C.
What is the InChIKey of trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
The InChIKey is IDZROJWWFAYCKH-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H28OSi/c1-8-10-14(17-18(5,6)7)15-13(2)11-9-12-16(15,3)4/h8,10H,1,9,11-12H2,2-7H3/b14-10-.
What are the key properties of trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane?
trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane has a molecular weight of 264.49 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1Z)-1-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienoxy]silane is sourced from PubChem (CID 19898509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).