tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane

C20H42O2Si — CID 134905781

IUPACtert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane
SMILESCCCCCC[C@H]1C[C@@H](CC[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H42O2Si/c1-9-10-11-12-13-17-16-18(22-20(5,6)21-17)14-15-23(7,8)19(2,3)4/h17-18H,9-16H2,1-8H3/t17-,18+/m0/s1
InChIKeyHWCJMTCRVKJLOC-ZWKOTPCHSA-N
MW342.64 g/mol
LogP6.77
Rot. Bonds8

About tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane

tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane (PubChem CID 134905781) has the molecular formula C20H42O2Si and a molecular weight of 342.64 g/mol. Its IUPAC name is tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane
PubChem CID134905781
Molecular FormulaC20H42O2Si
Molecular Weight342.64 g/mol
Exact Mass342.30
IUPAC Nametert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane
SMILESCCCCCC[C@H]1C[C@@H](CC[Si](C)(C)C(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C20H42O2Si/c1-9-10-11-12-13-17-16-18(22-20(5,6)21-17)14-15-23(7,8)19(2,3)4/h17-18H,9-16H2,1-8H3/t17-,18+/m0/s1
InChIKeyHWCJMTCRVKJLOC-ZWKOTPCHSA-N
XLogP6.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane (CID 134905781) is tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane is CCCCCC[C@H]1C[C@@H](CC[Si](C)(C)C(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane?
The InChIKey is HWCJMTCRVKJLOC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H42O2Si/c1-9-10-11-12-13-17-16-18(22-20(5,6)21-17)14-15-23(7,8)19(2,3)4/h17-18H,9-16H2,1-8H3/t17-,18+/m0/s1.
What are the key properties of tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane?
tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane has a molecular weight of 342.64 g/mol, XLogP of 6.77, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(4S,6S)-6-hexyl-2,2-dimethyl-1,3-dioxan-4-yl]ethyl]-dimethylsilane is sourced from PubChem (CID 134905781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).