trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane

C13H20OSSi — CID 100961605

IUPACtrimethyl-(2-phenyl-1,3-oxathian-2-yl)silane
SMILESC[Si](C)(C)C1(c2ccccc2)OCCCS1
InChIInChI=1S/C13H20OSSi/c1-16(2,3)13(14-10-7-11-15-13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyCVTVQICVMHUOMT-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.87
Rot. Bonds2

About trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane

trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane (PubChem CID 100961605) has the molecular formula C13H20OSSi and a molecular weight of 252.45 g/mol. Its IUPAC name is trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane.

Molecular Properties

Compound Nametrimethyl-(2-phenyl-1,3-oxathian-2-yl)silane
PubChem CID100961605
Molecular FormulaC13H20OSSi
Molecular Weight252.45 g/mol
Exact Mass252.10
IUPAC Nametrimethyl-(2-phenyl-1,3-oxathian-2-yl)silane
SMILESC[Si](C)(C)C1(c2ccccc2)OCCCS1
InChIInChI=1S/C13H20OSSi/c1-16(2,3)13(14-10-7-11-15-13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3
InChIKeyCVTVQICVMHUOMT-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-2-phenyl-1,3-oxathiane
CID 129226100
trimethyl-[(2S)-2-phenyloxiran-2-yl]silane
CID 135037115
2-ethoxy-2-phenyl-1,3-dioxane
CID 86143567
2-phenyl-2-propan-2-yl-1,3-dioxane
CID 89439443
(5S,7S)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
CID 11448088
(5R)-7-phenyl-1-oxa-4-thiaspiro[4.5]decan-7-ol
CID 101117543
trimethyl-(1-phenylcyclopropyl)silane
CID 5314804
(1S,6R)-1-methyl-6-phenyl-7,8-dioxa-2,5-dithiabicyclo[4.2.0]octane
CID 24751388
CID 102302966
CID 102302966
2-(2-methylpropyl)-2-phenyl-1,3-dioxane
CID 89439871
(2-phenyloxan-2-yl)silane
CID 123975784
bis(2-phenyl-1,3-dioxan-2-yl)methanone
CID 175026730

Frequently Asked Questions

What is the IUPAC name of trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane?
The IUPAC name of trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane (CID 100961605) is trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane.
What is the SMILES notation for trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane?
The canonical SMILES for trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane is C[Si](C)(C)C1(c2ccccc2)OCCCS1.
What is the InChIKey of trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane?
The InChIKey is CVTVQICVMHUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSSi/c1-16(2,3)13(14-10-7-11-15-13)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3.
What are the key properties of trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane?
trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane has a molecular weight of 252.45 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-(2-phenyl-1,3-oxathian-2-yl)silane is sourced from PubChem (CID 100961605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).