tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane

C14H28O2Si — CID 58760686

IUPACtert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
SMILESCOC1=CCCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h10,12H,7-9,11H2,1-6H3
InChIKeyXBNGMLFWLDRUDC-UHFFFAOYSA-N
MW256.46 g/mol
LogP4.34
Rot. Bonds4

About tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane

tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane (PubChem CID 58760686) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
PubChem CID58760686
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Nametert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane
SMILESCOC1=CCCCC1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h10,12H,7-9,11H2,1-6H3
InChIKeyXBNGMLFWLDRUDC-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]methanol
CID 67782499
tert-butyl-[2-[(1S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-trimethylsilyloxycyclohex-2-en-1-yl]propoxy]-dimethylsilane
CID 177446377
tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane
CID 101077758
[(1R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-2-en-1-yl] methyl carbonate
CID 164671476
[(1R,2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 69296261
tert-butyl-(cyclohex-3-en-1-ylmethoxy)-dimethylsilane
CID 11229886
1-[(1R,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopentyl]ethanone
CID 10422566
trans-(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-phenylcyclohexan-1-ol
CID 152761562
cis-(3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)cyclopentan-1-one
CID 10753716
cis-(3S,4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dimethylcyclopentan-1-ol
CID 59483083
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-amine
CID 170953372

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane (CID 58760686) is tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane is COC1=CCCCC1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane?
The InChIKey is XBNGMLFWLDRUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-14(2,3)17(5,6)16-11-12-9-7-8-10-13(12)15-4/h10,12H,7-9,11H2,1-6H3.
What are the key properties of tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane?
tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane has a molecular weight of 256.46 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2-methoxycyclohex-2-en-1-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 58760686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).