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

C29H60O3Si — CID 58962248

IUPACtert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCCC1OC(C)(C)O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O3Si/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(32-29(6,7)31-26)25(2)23-24-30-33(8,9)28(3,4)5/h25-27H,10-24H2,1-9H3/t25-,26?,27-/m0/s1
InChIKeyWRTBDBJVWSEMOJ-LLOGBAKRSA-N
MW484.88 g/mol
LogP9.65
Rot. Bonds18

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

tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane (PubChem CID 58962248) has the molecular formula C29H60O3Si and a molecular weight of 484.88 g/mol. Its IUPAC name is tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane
PubChem CID58962248
Molecular FormulaC29H60O3Si
Molecular Weight484.88 g/mol
Exact Mass484.43
IUPAC Nametert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCCC1OC(C)(C)O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C29H60O3Si/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(32-29(6,7)31-26)25(2)23-24-30-33(8,9)28(3,4)5/h25-27H,10-24H2,1-9H3/t25-,26?,27-/m0/s1
InChIKeyWRTBDBJVWSEMOJ-LLOGBAKRSA-N
XLogP9.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.88
LogP ≤ 59.65
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-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane (CID 58962248) is tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane is CCCCCCCCCCCCCCC1OC(C)(C)O[C@H]1[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane?
The InChIKey is WRTBDBJVWSEMOJ-LLOGBAKRSA-N. The full InChI is InChI=1S/C29H60O3Si/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(32-29(6,7)31-26)25(2)23-24-30-33(8,9)28(3,4)5/h25-27H,10-24H2,1-9H3/t25-,26?,27-/m0/s1.
What are the key properties of tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane?
tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane has a molecular weight of 484.88 g/mol, XLogP of 9.65, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-3-[(4S)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]butoxy]-dimethylsilane is sourced from PubChem (CID 58962248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).