[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol

C13H26O3Si — CID 21335012

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C13H26O3Si/c1-10-7-11(8-12(9-14)15-10)16-17(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3
InChIKeyNOJKUGVIEFNWOH-UHFFFAOYSA-N
MW258.43 g/mol
LogP3.06
Rot. Bonds3

About [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol

[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol (PubChem CID 21335012) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol
PubChem CID21335012
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol
SMILESC=C1CC(O[Si](C)(C)C(C)(C)C)CC(CO)O1
InChIInChI=1S/C13H26O3Si/c1-10-7-11(8-12(9-14)15-10)16-17(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3
InChIKeyNOJKUGVIEFNWOH-UHFFFAOYSA-N
XLogP3.06
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3S,6R)-3-[tert-butyl(dimethyl)silyl]oxy-6-ethenyloxan-2-yl]methanol
CID 56593730
2-(5-Diethylmethylsilyl-2-oxapent-4-enyl)-1,4-dioxane
CID 129798647
[(2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxyhept-6-enyl]oxidanium
CID 135036750
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methylhex-5-en-2-ol
CID 58797956
[(2R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol
CID 59890636
(2R,3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4-dihydro-2H-pyran-3-ol
CID 173558090
(2R,3S,4R)-5-methyl-2-[tri(propan-2-yl)silyloxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 10710547
(2R,3S,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-methoxyhept-6-en-3-ol
CID 11694745
1,5-Anhydro-2,3-dideoxy-6-O-[(1,1-dimethylethyl)dimethylsilyl]-D-erythro-hex-1-enitol
CID 14311878
(1R)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 21601725
(1S)-1-[(2S,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]but-3-en-1-ol
CID 21601726
(2R,3S)-3-methoxy-5-methyl-1-tri(propan-2-yl)silyloxyhex-5-en-2-ol
CID 44249683

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol (CID 21335012) is [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol is C=C1CC(O[Si](C)(C)C(C)(C)C)CC(CO)O1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol?
The InChIKey is NOJKUGVIEFNWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-10-7-11(8-12(9-14)15-10)16-17(5,6)13(2,3)4/h11-12,14H,1,7-9H2,2-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol?
[4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol has a molecular weight of 258.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-6-methylideneoxan-2-yl]methanol is sourced from PubChem (CID 21335012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).