(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol

C24H26O3SSi — CID 11373577

IUPAC(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol
SMILESCC1(C)OC[C@H]([C@@H](S)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H26O3SSi/c1-24(2)25-18-22(26-24)23(28)27-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,28H,18H2,1-2H3/t22-,23-/m1/s1
InChIKeyIWJLIMDYYDSYQI-DHIUTWEWSA-N
MW422.62 g/mol
LogP3.08
Rot. Bonds6

About (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol

(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol (PubChem CID 11373577) has the molecular formula C24H26O3SSi and a molecular weight of 422.62 g/mol. Its IUPAC name is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol.

Molecular Properties

Compound Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol
PubChem CID11373577
Molecular FormulaC24H26O3SSi
Molecular Weight422.62 g/mol
Exact Mass422.14
IUPAC Name(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol
SMILESCC1(C)OC[C@H]([C@@H](S)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1
InChIInChI=1S/C24H26O3SSi/c1-24(2)25-18-22(26-24)23(28)27-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,28H,18H2,1-2H3/t22-,23-/m1/s1
InChIKeyIWJLIMDYYDSYQI-DHIUTWEWSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.62
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane
CID 3288786
1-(((4S)-2,2-Dimethyl(1,3-dioxolan-4-yl))methoxy)-2,2-dimethyl-1,1-diphenyl-1-silapropane
CID 10714242
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 14044782
tert-butyl-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propoxy]-diphenylsilane
CID 134878579
tert-butyl-diphenyl-[[(4R,5R)-2,2,5-trimethyl-1,3-dioxolan-4-yl]methoxy]silane
CID 135021097
tert-butyl-[(1R)-1-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]but-3-enoxy]-diphenylsilane
CID 11597593
Tert-butyl-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-diphenylsilane
CID 14524751
tert-butyl-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethoxy]-diphenylsilane
CID 14524752
4-(t-Butyldiphenylsilyloxymethyl)-2-ethoxy-1,3-oxathiolane
CID 21255890
Tert-butyl-(1,3-dioxolan-4-ylmethoxy)-diphenylsilane
CID 139756843
(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy-diphenylsilane
CID 173853351
tert-butyl-[[(4R)-2-methoxy-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 10090694

Frequently Asked Questions

What is the IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol?
The IUPAC name of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol (CID 11373577) is (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol.
What is the SMILES notation for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol?
The canonical SMILES for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol is CC1(C)OC[C@H]([C@@H](S)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1.
What is the InChIKey of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol?
The InChIKey is IWJLIMDYYDSYQI-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H26O3SSi/c1-24(2)25-18-22(26-24)23(28)27-29(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22-23,28H,18H2,1-2H3/t22-,23-/m1/s1.
What are the key properties of (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol?
(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol has a molecular weight of 422.62 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-triphenylsilyloxymethanethiol is sourced from PubChem (CID 11373577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).