trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane

C13H26OSi — CID 582864

IUPACtrimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane
SMILESCC1=CCC(C(C)(C)O[Si](C)(C)C)CC1
InChIInChI=1S/C13H26OSi/c1-11-7-9-12(10-8-11)13(2,3)14-15(4,5)6/h7,12H,8-10H2,1-6H3
InChIKeyQFMNBGCPRJYFNY-UHFFFAOYSA-N
MW226.44 g/mol
LogP4.36
Rot. Bonds3

About trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane

trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane (PubChem CID 582864) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane.

Molecular Properties

Compound Nametrimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane
PubChem CID582864
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametrimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane
SMILESCC1=CCC(C(C)(C)O[Si](C)(C)C)CC1
InChIInChI=1S/C13H26OSi/c1-11-7-9-12(10-8-11)13(2,3)14-15(4,5)6/h7,12H,8-10H2,1-6H3
InChIKeyQFMNBGCPRJYFNY-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.36
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-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane?
The IUPAC name of trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane (CID 582864) is trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane.
What is the SMILES notation for trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane?
The canonical SMILES for trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane is CC1=CCC(C(C)(C)O[Si](C)(C)C)CC1.
What is the InChIKey of trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane?
The InChIKey is QFMNBGCPRJYFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26OSi/c1-11-7-9-12(10-8-11)13(2,3)14-15(4,5)6/h7,12H,8-10H2,1-6H3.
What are the key properties of trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane?
trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane has a molecular weight of 226.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]silane is sourced from PubChem (CID 582864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).