2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane

C14H20O2S — CID 15122645

IUPAC2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
SMILESCC1(CC(C)(C)Sc2ccccc2)OCCO1
InChIInChI=1S/C14H20O2S/c1-13(2,11-14(3)15-9-10-16-14)17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNVZKDXAEGODVFV-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.71
Rot. Bonds4

About 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane

2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane (PubChem CID 15122645) has the molecular formula C14H20O2S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
PubChem CID15122645
Molecular FormulaC14H20O2S
Molecular Weight252.38 g/mol
Exact Mass252.12
IUPAC Name2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane
SMILESCC1(CC(C)(C)Sc2ccccc2)OCCO1
InChIInChI=1S/C14H20O2S/c1-13(2,11-14(3)15-9-10-16-14)17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyNVZKDXAEGODVFV-UHFFFAOYSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-4-(phenylsulfanylmethyl)-1,3-dioxolane
CID 85353102
6-Methyl-6-(phenylsulfanylmethyl)-3,3-dipropyl-1,2,4-trioxane
CID 71597173
8-(Benzenesulfinyl)-1,4-dioxaspiro[4.4]nonane
CID 13479852
8-(2-Phenylsulfanylethenylidene)-1,4-dioxaspiro[4.5]decane
CID 86208240
4-Phenylthiomethyl-1,3-dioxolan-2-one
CID 11195172
4-Phenylsulfanyl-[1,3]dioxolan-2-one
CID 11287057
7-Methyl-7-(phenylsulfanylmethyl)-5,6,9-trioxaspiro[3.5]nonane
CID 11323093
2,2-Dimethyl-5-(phenylthio)tetrahydrofuran
CID 361780
2-(Phenylsulfanylmethyl)-1,3-dioxolane
CID 10488127
2-Phenylsulfanyl-1,3-dioxolane
CID 14388133
(4S)-4-(benzylsulfanylmethyl)-2,2-dimethyl-1,3-dioxolane
CID 10514107
3-Methyl-2-(phenylsulfanylmethyl)oxolan-2-ol
CID 10585253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane (CID 15122645) is 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane is CC1(CC(C)(C)Sc2ccccc2)OCCO1.
What is the InChIKey of 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane?
The InChIKey is NVZKDXAEGODVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2S/c1-13(2,11-14(3)15-9-10-16-14)17-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane?
2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane has a molecular weight of 252.38 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-methyl-2-phenylsulfanylpropyl)-1,3-dioxolane is sourced from PubChem (CID 15122645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).