2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

C15H20O2S — CID 155706449

IUPAC2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCc1ccc(SC2CCC3OC(C)(C)OC32)cc1
InChIInChI=1S/C15H20O2S/c1-10-4-6-11(7-5-10)18-13-9-8-12-14(13)17-15(2,3)16-12/h4-7,12-14H,8-9H2,1-3H3
InChIKeyDDYVHZGMWCYIQY-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.77
Rot. Bonds2

About 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole

2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 155706449) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID155706449
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCc1ccc(SC2CCC3OC(C)(C)OC32)cc1
InChIInChI=1S/C15H20O2S/c1-10-4-6-11(7-5-10)18-13-9-8-12-14(13)17-15(2,3)16-12/h4-7,12-14H,8-9H2,1-3H3
InChIKeyDDYVHZGMWCYIQY-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole with MolForge

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Related Compounds

(4R,5S)-4-ethyl-2,2-dimethyl-5-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxolane
CID 101757726
8-(4-Methylphenyl)sulfonyl-1,4-dioxaspiro[4.4]nonane
CID 134959673
(4R)-2,2-dimethyl-4-(4-methylphenyl)sulfanyl-1,3-dioxolane
CID 166448507
2,2-Dimethyl-4-[(4-methylphenyl)sulfonylmethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 327524
8-[(4-Methylphenyl)sulfanylmethylidene]-1,4-dioxaspiro[4.5]decane
CID 86052722
8-[Deuterio-(4-methylphenyl)sulfanylmethylidene]-1,4-dioxaspiro[4.5]decane
CID 102573495
2-Methyl-2-({4-[(propan-2-yl)sulfanyl]phenyl}methyl)-1,3-dioxolane
CID 71408772
2,2-Dimethyl-6-(4-methylphenyl)sulfanyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 142419669
6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-7-(4-methylphenyl)sulfinyl-1,3,5-trioxocane
CID 143204373
(1S,4S,5R)-2,2-diethoxy-4-[(S)-(4-methylphenyl)sulfinyl]-6-oxabicyclo[3.1.0]hexane
CID 10662749
(3aS,6aR)-2-benzyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 10871997
(3aR,6aS)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole
CID 10967919

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole (CID 155706449) is 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is Cc1ccc(SC2CCC3OC(C)(C)OC32)cc1.
What is the InChIKey of 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is DDYVHZGMWCYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-10-4-6-11(7-5-10)18-13-9-8-12-14(13)17-15(2,3)16-12/h4-7,12-14H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole?
2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 264.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(4-methylphenyl)sulfanyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 155706449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).