[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane

C26H58O2Si2 — CID 102250275

IUPAC[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC[C@H](C)[C@@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H58O2Si2/c1-19(2)29(20(3)4,21(5)6)27-17-15-25(13)26(14)16-18-28-30(22(7)8,23(9)10)24(11)12/h19-26H,15-18H2,1-14H3/t25-,26-/m0/s1
InChIKeyMSHKKMJFTSMQBF-UIOOFZCWSA-N
MW458.92 g/mol
LogP9.42
Rot. Bonds15

About [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane

[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane (PubChem CID 102250275) has the molecular formula C26H58O2Si2 and a molecular weight of 458.92 g/mol. Its IUPAC name is [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane
PubChem CID102250275
Molecular FormulaC26H58O2Si2
Molecular Weight458.92 g/mol
Exact Mass458.40
IUPAC Name[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCC[C@H](C)[C@@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C26H58O2Si2/c1-19(2)29(20(3)4,21(5)6)27-17-15-25(13)26(14)16-18-28-30(22(7)8,23(9)10)24(11)12/h19-26H,15-18H2,1-14H3/t25-,26-/m0/s1
InChIKeyMSHKKMJFTSMQBF-UIOOFZCWSA-N
XLogP9.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.92
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane (CID 102250275) is [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCC[C@H](C)[C@@H](C)CCO[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane?
The InChIKey is MSHKKMJFTSMQBF-UIOOFZCWSA-N. The full InChI is InChI=1S/C26H58O2Si2/c1-19(2)29(20(3)4,21(5)6)27-17-15-25(13)26(14)16-18-28-30(22(7)8,23(9)10)24(11)12/h19-26H,15-18H2,1-14H3/t25-,26-/m0/s1.
What are the key properties of [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane?
[(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane has a molecular weight of 458.92 g/mol, XLogP of 9.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3,4-dimethyl-6-tri(propan-2-yl)silyloxyhexoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 102250275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).