tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane

C28H40O3Si — CID 10321645

IUPACtert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1CCCO[C@@]12CC[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O2
InChIInChI=1S/C28H40O3Si/c1-22-18-19-28(23(2)13-12-20-29-28)31-26(22)21-30-32(27(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,26H,12-13,18-21H2,1-5H3/t22-,23+,26+,28+/m0/s1
InChIKeyAVPLTCKGHQEQSS-WLSLLGPHSA-N
MW452.71 g/mol
LogP5.52
Rot. Bonds5

About tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane (PubChem CID 10321645) has the molecular formula C28H40O3Si and a molecular weight of 452.71 g/mol. Its IUPAC name is tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
PubChem CID10321645
Molecular FormulaC28H40O3Si
Molecular Weight452.71 g/mol
Exact Mass452.27
IUPAC Nametert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
SMILESC[C@@H]1CCCO[C@@]12CC[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O2
InChIInChI=1S/C28H40O3Si/c1-22-18-19-28(23(2)13-12-20-29-28)31-26(22)21-30-32(27(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,26H,12-13,18-21H2,1-5H3/t22-,23+,26+,28+/m0/s1
InChIKeyAVPLTCKGHQEQSS-WLSLLGPHSA-N
XLogP5.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.71
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane (CID 10321645) is tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane is C[C@@H]1CCCO[C@@]12CC[C@H](C)[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O2.
What is the InChIKey of tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
The InChIKey is AVPLTCKGHQEQSS-WLSLLGPHSA-N. The full InChI is InChI=1S/C28H40O3Si/c1-22-18-19-28(23(2)13-12-20-29-28)31-26(22)21-30-32(27(3,4)5,24-14-8-6-9-15-24)25-16-10-7-11-17-25/h6-11,14-17,22-23,26H,12-13,18-21H2,1-5H3/t22-,23+,26+,28+/m0/s1.
What are the key properties of tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane has a molecular weight of 452.71 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 10321645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).