[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane

C22H46O2Si — CID 101396464

IUPAC[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)CCC[C@H]1OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si/c1-16(2)12-11-13-20-21(14-15-22(9,10)23-20)24-25(17(3)4,18(5)6)19(7)8/h16-21H,11-15H2,1-10H3/t20-,21-/m1/s1
InChIKeyNJSNOJLVVIHSBY-NHCUHLMSSA-N
MW370.69 g/mol
LogP7.33
Rot. Bonds9

About [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane

[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 101396464) has the molecular formula C22H46O2Si and a molecular weight of 370.69 g/mol. Its IUPAC name is [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID101396464
Molecular FormulaC22H46O2Si
Molecular Weight370.69 g/mol
Exact Mass370.33
IUPAC Name[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)CCC[C@H]1OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C22H46O2Si/c1-16(2)12-11-13-20-21(14-15-22(9,10)23-20)24-25(17(3)4,18(5)6)19(7)8/h16-21H,11-15H2,1-10H3/t20-,21-/m1/s1
InChIKeyNJSNOJLVVIHSBY-NHCUHLMSSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.69
LogP ≤ 57.33
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

tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane
CID 101396465
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
CID 116523545
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
6-(5,5-dimethyloxolan-2-yl)-2,2-dimethylhexan-3-amine
CID 116524272
4-methylpentylcyclopentane
CID 523530
2-(5-methylhexyl)oxetane
CID 173452744
[(2S,3S)-3-(4-methylpentyl)oxiran-2-yl]methanol
CID 10997318
4-(4-methylpentyl)-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxin-2-one
CID 21387317
(3R)-5,6-dimethoxy-4-[(2R,3R)-2-methyl-3-(3-methylbutyl)oxiran-2-yl]-1-oxaspiro[2.5]octane
CID 130388308

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane (CID 101396464) is [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane is CC(C)CCC[C@H]1OC(C)(C)CC[C@H]1O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is NJSNOJLVVIHSBY-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H46O2Si/c1-16(2)12-11-13-20-21(14-15-22(9,10)23-20)24-25(17(3)4,18(5)6)19(7)8/h16-21H,11-15H2,1-10H3/t20-,21-/m1/s1.
What are the key properties of [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane?
[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 370.69 g/mol, XLogP of 7.33, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 101396464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).