tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane

C27H56O4Si2 — CID 135024962

IUPACtert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@H](C)C1CCC[C@@]2(CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1)(C(C)C)C(C)C
InChIInChI=1S/C27H56O4Si2/c1-20(2)33(21(3)4,22(5)6)29-18-23(7)25-14-13-16-27(31-25)17-15-24(30-27)19-28-32(11,12)26(8,9)10/h20-25H,13-19H2,1-12H3/t23-,24-,25?,27-/m0/s1
InChIKeyKAHSXCKTLFLNNC-OIMZTLGZSA-N
MW500.91 g/mol
LogP8.28
Rot. Bonds10

About tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane (PubChem CID 135024962) has the molecular formula C27H56O4Si2 and a molecular weight of 500.91 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
PubChem CID135024962
Molecular FormulaC27H56O4Si2
Molecular Weight500.91 g/mol
Exact Mass500.37
IUPAC Nametert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane
SMILESCC(C)[Si](OC[C@H](C)C1CCC[C@@]2(CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1)(C(C)C)C(C)C
InChIInChI=1S/C27H56O4Si2/c1-20(2)33(21(3)4,22(5)6)29-18-23(7)25-14-13-16-27(31-25)17-15-24(30-27)19-28-32(11,12)26(8,9)10/h20-25H,13-19H2,1-12H3/t23-,24-,25?,27-/m0/s1
InChIKeyKAHSXCKTLFLNNC-OIMZTLGZSA-N
XLogP8.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.91
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane (CID 135024962) is tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane is CC(C)[Si](OC[C@H](C)C1CCC[C@@]2(CC[C@@H](CO[Si](C)(C)C(C)(C)C)O2)O1)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
The InChIKey is KAHSXCKTLFLNNC-OIMZTLGZSA-N. The full InChI is InChI=1S/C27H56O4Si2/c1-20(2)33(21(3)4,22(5)6)29-18-23(7)25-14-13-16-27(31-25)17-15-24(30-27)19-28-32(11,12)26(8,9)10/h20-25H,13-19H2,1-12H3/t23-,24-,25?,27-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane has a molecular weight of 500.91 g/mol, XLogP of 8.28, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2S,5R)-7-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]-1,6-dioxaspiro[4.5]decan-2-yl]methoxy]silane is sourced from PubChem (CID 135024962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).