[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane

C32H70O5Si3 — CID 135014563

IUPAC[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H70O5Si3/c1-25(36-39(15,16)30(5,6)7)22-20-19-21-23-26-28(35-32(11,12)34-26)27(37-40(17,18)31(8,9)10)24-33-38(13,14)29(2,3)4/h25-28H,19-24H2,1-18H3/t25-,26+,27-,28+/m1/s1
InChIKeyNUHYVFPGWVTXNS-GCFVYEKYSA-N
MW619.17 g/mol
LogP10.28
Rot. Bonds14

About [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane

[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 135014563) has the molecular formula C32H70O5Si3 and a molecular weight of 619.17 g/mol. Its IUPAC name is [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID135014563
Molecular FormulaC32H70O5Si3
Molecular Weight619.17 g/mol
Exact Mass618.45
IUPAC Name[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESC[C@H](CCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C32H70O5Si3/c1-25(36-39(15,16)30(5,6)7)22-20-19-21-23-26-28(35-32(11,12)34-26)27(37-40(17,18)31(8,9)10)24-33-38(13,14)29(2,3)4/h25-28H,19-24H2,1-18H3/t25-,26+,27-,28+/m1/s1
InChIKeyNUHYVFPGWVTXNS-GCFVYEKYSA-N
XLogP10.28
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.17
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane (CID 135014563) is [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane is C[C@H](CCCCC[C@@H]1OC(C)(C)O[C@@H]1[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is NUHYVFPGWVTXNS-GCFVYEKYSA-N. The full InChI is InChI=1S/C32H70O5Si3/c1-25(36-39(15,16)30(5,6)7)22-20-19-21-23-26-28(35-32(11,12)34-26)27(37-40(17,18)31(8,9)10)24-33-38(13,14)29(2,3)4/h25-28H,19-24H2,1-18H3/t25-,26+,27-,28+/m1/s1.
What are the key properties of [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane?
[(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 619.17 g/mol, XLogP of 10.28, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-[(4S,5S)-5-[(1R)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]heptan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 135014563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).