tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane

C20H42O3Si — CID 11360349

IUPACtert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
SMILESCC1(C)OCC(CCCCCCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si/c1-19(2,3)24(6,7)22-16-14-12-10-8-9-11-13-15-18-17-21-20(4,5)23-18/h18H,8-17H2,1-7H3
InChIKeyCSWGZEVAHWJHLG-UHFFFAOYSA-N
MW358.64 g/mol
LogP6.28
Rot. Bonds11

About tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane

tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane (PubChem CID 11360349) has the molecular formula C20H42O3Si and a molecular weight of 358.64 g/mol. Its IUPAC name is tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
PubChem CID11360349
Molecular FormulaC20H42O3Si
Molecular Weight358.64 g/mol
Exact Mass358.29
IUPAC Nametert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane
SMILESCC1(C)OCC(CCCCCCCCCO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C20H42O3Si/c1-19(2,3)24(6,7)22-16-14-12-10-8-9-11-13-15-18-17-21-20(4,5)23-18/h18H,8-17H2,1-7H3
InChIKeyCSWGZEVAHWJHLG-UHFFFAOYSA-N
XLogP6.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.64
LogP ≤ 56.28
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-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 10105989
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-[tert-butyl(dimethyl)silyl]oxy-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 135039821
(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-amine
CID 16655821
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane (CID 11360349) is tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane is CC1(C)OCC(CCCCCCCCCO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane?
The InChIKey is CSWGZEVAHWJHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O3Si/c1-19(2,3)24(6,7)22-16-14-12-10-8-9-11-13-15-18-17-21-20(4,5)23-18/h18H,8-17H2,1-7H3.
What are the key properties of tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane?
tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane has a molecular weight of 358.64 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[9-(2,2-dimethyl-1,3-dioxolan-4-yl)nonoxy]-dimethylsilane is sourced from PubChem (CID 11360349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).