tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane

C28H58O3Si — CID 58429893

IUPACtert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O3Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-25-26(30-28(6,7)29-25)24(11-2)31-32(8,9)27(3,4)5/h24-26H,10-23H2,1-9H3/t24-,25+,26-/m0/s1
InChIKeyUHXCPVLTGCJPOQ-NXCFDTQHSA-N
MW470.86 g/mol
LogP9.40
Rot. Bonds17

About tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane

tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane (PubChem CID 58429893) has the molecular formula C28H58O3Si and a molecular weight of 470.86 g/mol. Its IUPAC name is tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
PubChem CID58429893
Molecular FormulaC28H58O3Si
Molecular Weight470.86 g/mol
Exact Mass470.42
IUPAC Nametert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H58O3Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-25-26(30-28(6,7)29-25)24(11-2)31-32(8,9)27(3,4)5/h24-26H,10-23H2,1-9H3/t24-,25+,26-/m0/s1
InChIKeyUHXCPVLTGCJPOQ-NXCFDTQHSA-N
XLogP9.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.86
LogP ≤ 59.40
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane (CID 58429893) is tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane is CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](CC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
The InChIKey is UHXCPVLTGCJPOQ-NXCFDTQHSA-N. The full InChI is InChI=1S/C28H58O3Si/c1-10-12-13-14-15-16-17-18-19-20-21-22-23-25-26(30-28(6,7)29-25)24(11-2)31-32(8,9)27(3,4)5/h24-26H,10-23H2,1-9H3/t24-,25+,26-/m0/s1.
What are the key properties of tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane?
tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane has a molecular weight of 470.86 g/mol, XLogP of 9.40, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S)-1-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]propoxy]-dimethylsilane is sourced from PubChem (CID 58429893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).