trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane

C13H26O2Si — CID 10421871

IUPACtrimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane
SMILESCC1=C(OCCCO[Si](C)(C)C)CCCC1
InChIInChI=1S/C13H26O2Si/c1-12-8-5-6-9-13(12)14-10-7-11-15-16(2,3)4/h5-11H2,1-4H3
InChIKeyIILAEMMGGTVJLO-UHFFFAOYSA-N
MW242.43 g/mol
LogP4.09
Rot. Bonds6

About trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane

trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane (PubChem CID 10421871) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane.

Molecular Properties

Compound Nametrimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane
PubChem CID10421871
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Nametrimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane
SMILESCC1=C(OCCCO[Si](C)(C)C)CCCC1
InChIInChI=1S/C13H26O2Si/c1-12-8-5-6-9-13(12)14-10-7-11-15-16(2,3)4/h5-11H2,1-4H3
InChIKeyIILAEMMGGTVJLO-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane?
The IUPAC name of trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane (CID 10421871) is trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane.
What is the SMILES notation for trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane?
The canonical SMILES for trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane is CC1=C(OCCCO[Si](C)(C)C)CCCC1.
What is the InChIKey of trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane?
The InChIKey is IILAEMMGGTVJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-12-8-5-6-9-13(12)14-10-7-11-15-16(2,3)4/h5-11H2,1-4H3.
What are the key properties of trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane?
trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane has a molecular weight of 242.43 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(2-methylcyclohexen-1-yl)oxypropoxy]silane is sourced from PubChem (CID 10421871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).