(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane

C34H38OS2Si — CID 11444288

IUPAC(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane
SMILESC[C@H](COCc1ccccc1)C[Si](c1ccccc1)(c1ccccc1)C1(Cc2ccccc2)SCCCS1
InChIInChI=1S/C34H38OS2Si/c1-29(26-35-27-31-17-8-3-9-18-31)28-38(32-19-10-4-11-20-32,33-21-12-5-13-22-33)34(36-23-14-24-37-34)25-30-15-6-2-7-16-30/h2-13,15-22,29H,14,23-28H2,1H3/t29-/m1/s1
InChIKeyZWQICTDKIJBCTH-GDLZYMKVSA-N
MW554.90 g/mol
LogP7.45
Rot. Bonds11

About (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane

(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane (PubChem CID 11444288) has the molecular formula C34H38OS2Si and a molecular weight of 554.90 g/mol. Its IUPAC name is (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane.

Molecular Properties

Compound Name(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane
PubChem CID11444288
Molecular FormulaC34H38OS2Si
Molecular Weight554.90 g/mol
Exact Mass554.21
IUPAC Name(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane
SMILESC[C@H](COCc1ccccc1)C[Si](c1ccccc1)(c1ccccc1)C1(Cc2ccccc2)SCCCS1
InChIInChI=1S/C34H38OS2Si/c1-29(26-35-27-31-17-8-3-9-18-31)28-38(32-19-10-4-11-20-32,33-21-12-5-13-22-33)34(36-23-14-24-37-34)25-30-15-6-2-7-16-30/h2-13,15-22,29H,14,23-28H2,1H3/t29-/m1/s1
InChIKeyZWQICTDKIJBCTH-GDLZYMKVSA-N
XLogP7.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.90
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2R)-2-methyl-3-phenylmethoxypropyl]-1,3-dithiane
CID 10517049
lithium (2R)-1-[2-[tert-butyl(dimethyl)silyl]-1,3-dithian-2-yl]-3-phenylmethoxypropan-2-olate
CID 25208930
[(2R)-3-iodo-2-methylpropoxy]methylbenzene
CID 10334380
[(2R)-4-bromo-2-methylbutoxy]methylbenzene
CID 174482888
[(2R)-2-methylheptoxy]methylbenzene
CID 126666980
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531
[3-[1-(bromomethyl)cyclopent-3-en-1-yl]-2-methylpropoxy]methylbenzene
CID 165447178
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2S,4S)-2,4-dimethyl-5-phenylmethoxypentanal
CID 25112676
dimethyl-[(E,4R)-4-methyl-5-phenylmethoxypent-2-enyl]-phenylsilane
CID 15316565
(1R,2R,3R)-1-[dimethyl(phenyl)silyl]-4-phenylmethoxybutane-1,2,3-triol
CID 134901122

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane?
The IUPAC name of (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane (CID 11444288) is (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane.
What is the SMILES notation for (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane?
The canonical SMILES for (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane is C[C@H](COCc1ccccc1)C[Si](c1ccccc1)(c1ccccc1)C1(Cc2ccccc2)SCCCS1.
What is the InChIKey of (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane?
The InChIKey is ZWQICTDKIJBCTH-GDLZYMKVSA-N. The full InChI is InChI=1S/C34H38OS2Si/c1-29(26-35-27-31-17-8-3-9-18-31)28-38(32-19-10-4-11-20-32,33-21-12-5-13-22-33)34(36-23-14-24-37-34)25-30-15-6-2-7-16-30/h2-13,15-22,29H,14,23-28H2,1H3/t29-/m1/s1.
What are the key properties of (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane?
(2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane has a molecular weight of 554.90 g/mol, XLogP of 7.45, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-dithian-2-yl)-[(2R)-2-methyl-3-phenylmethoxypropyl]-diphenylsilane is sourced from PubChem (CID 11444288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).