tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane

C19H38O3Si — CID 134937000

IUPACtert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1CCC[C@]2(CCCCO2)O1
InChIInChI=1S/C19H38O3Si/c1-18(2,3)23(4,5)21-16-8-6-11-17-12-10-14-19(22-17)13-7-9-15-20-19/h17H,6-16H2,1-5H3/t17-,19+/m1/s1
InChIKeyRLLFJJJNMCTJFU-MJGOQNOKSA-N
MW342.60 g/mol
LogP5.64
Rot. Bonds6

About tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane

tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane (PubChem CID 134937000) has the molecular formula C19H38O3Si and a molecular weight of 342.60 g/mol. Its IUPAC name is tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane
PubChem CID134937000
Molecular FormulaC19H38O3Si
Molecular Weight342.60 g/mol
Exact Mass342.26
IUPAC Nametert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@@H]1CCC[C@]2(CCCCO2)O1
InChIInChI=1S/C19H38O3Si/c1-18(2,3)23(4,5)21-16-8-6-11-17-12-10-14-19(22-17)13-7-9-15-20-19/h17H,6-16H2,1-5H3/t17-,19+/m1/s1
InChIKeyRLLFJJJNMCTJFU-MJGOQNOKSA-N
XLogP5.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.60
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl-dimethyl-[8-(oxan-2-yloxy)octoxy]silane
CID 11624356
tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane
CID 134905781
tert-butyl-[[(2S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-2,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 11648250
tert-butyl-[[(3R,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333490
tert-butyl-[[(3S,4R,5R,6R,10R,11S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5,11-trimethyl-1,7-dioxaspiro[5.5]undecan-10-yl]oxy]-dimethylsilane
CID 102333494
Tert-butyl-dimethyl-[10-(oxan-2-yloxy)decoxy]silane
CID 11046962
tert-butyl-[(2S)-1-[(2S,6R)-6-[[(4S)-1,5-dioxaspiro[5.5]undecan-4-yl]methyl]oxan-2-yl]butan-2-yl]oxy-dimethylsilane
CID 57931501
[(8R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,7-dioxaspiro[5.5]undecan-8-yl]methanol
CID 59917799
Trimethyl-(2-octadecoxyoxan-2-yl)silane
CID 90956133
Dimethyl-(2-nonadecan-2-yloxyoxan-2-yl)silane
CID 173200522
Tert-butyl-dimethyl-[18-(oxan-2-yloxy)octadecoxy]silane
CID 173578439
Tert-butyl-dimethyl-[13-(oxan-2-yloxy)tridecoxy]silane
CID 173586052

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane (CID 134937000) is tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCC[C@@H]1CCC[C@]2(CCCCO2)O1.
What is the InChIKey of tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane?
The InChIKey is RLLFJJJNMCTJFU-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H38O3Si/c1-18(2,3)23(4,5)21-16-8-6-11-17-12-10-14-19(22-17)13-7-9-15-20-19/h17H,6-16H2,1-5H3/t17-,19+/m1/s1.
What are the key properties of tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane?
tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane has a molecular weight of 342.60 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-[(2R,6S)-1,7-dioxaspiro[5.5]undecan-2-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 134937000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).