trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane

C16H26O2SSi — CID 91699069

IUPACtrimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane
SMILESCC(C(Sc1ccccc1)[Si](C)(C)C)C1(C)OCCO1
InChIInChI=1S/C16H26O2SSi/c1-13(16(2)17-11-12-18-16)15(20(3,4)5)19-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3
InChIKeyIPQQRCMIHZFCOT-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.42
Rot. Bonds5

About trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane

trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane (PubChem CID 91699069) has the molecular formula C16H26O2SSi and a molecular weight of 310.53 g/mol. Its IUPAC name is trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane
PubChem CID91699069
Molecular FormulaC16H26O2SSi
Molecular Weight310.53 g/mol
Exact Mass310.14
IUPAC Nametrimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane
SMILESCC(C(Sc1ccccc1)[Si](C)(C)C)C1(C)OCCO1
InChIInChI=1S/C16H26O2SSi/c1-13(16(2)17-11-12-18-16)15(20(3,4)5)19-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3
InChIKeyIPQQRCMIHZFCOT-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
(4R)-2,2-dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 10977116
[(4S)-2,2-dimethyl-6-phenylsulfanyl-1,3-dioxan-4-yl]methoxy-tri(propan-2-yl)silane
CID 11338853
TBDMS(-3)[TBDMS(-5)]2-deoxy-D-eryPenf-SPh
CID 11408425
(4R)-4-[(2S)-1-(benzenesulfonyl)propan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 11832967
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-trimethylsilane
CID 12842285
2-Methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
CID 15122645
[(3aR,7S,7aS)-2,2-dimethyl-4-phenylsulfanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]oxy-tert-butyl-dimethylsilane
CID 135078545
4-[Fluoro(phenylsulfanyl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 85956026
1,3-Dioxolane, 2-methyl-2-[3-(phenylthio)propyl]-
CID 9991809
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-tert-butyl-dimethylsilane
CID 10499418
[1-(Benzenesulfonyl)-2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-dimethyl-phenylsilane
CID 10668156

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane?
The IUPAC name of trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane (CID 91699069) is trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane.
What is the SMILES notation for trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane?
The canonical SMILES for trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane is CC(C(Sc1ccccc1)[Si](C)(C)C)C1(C)OCCO1.
What is the InChIKey of trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane?
The InChIKey is IPQQRCMIHZFCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2SSi/c1-13(16(2)17-11-12-18-16)15(20(3,4)5)19-14-9-7-6-8-10-14/h6-10,13,15H,11-12H2,1-5H3.
What are the key properties of trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane?
trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane has a molecular weight of 310.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methyl-1,3-dioxolan-2-yl)-1-phenylsulfanylpropyl]silane is sourced from PubChem (CID 91699069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).