(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane

C24H30O2S2 — CID 11407334

IUPAC(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane
SMILESCC1(C)O[C@@H]([C@H]2C[C@@H](Sc3ccccc3)C(C)(C)O2)C[C@H]1Sc1ccccc1
InChIInChI=1S/C24H30O2S2/c1-23(2)21(27-17-11-7-5-8-12-17)15-19(25-23)20-16-22(24(3,4)26-20)28-18-13-9-6-10-14-18/h5-14,19-22H,15-16H2,1-4H3/t19-,20-,21-,22-/m1/s1
InChIKeyUYZVOMZGQDYSSY-GXRSIYKFSA-N
MW414.64 g/mol
LogP6.44
Rot. Bonds5

About (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane

(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane (PubChem CID 11407334) has the molecular formula C24H30O2S2 and a molecular weight of 414.64 g/mol. Its IUPAC name is (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane.

Molecular Properties

Compound Name(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane
PubChem CID11407334
Molecular FormulaC24H30O2S2
Molecular Weight414.64 g/mol
Exact Mass414.17
IUPAC Name(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane
SMILESCC1(C)O[C@@H]([C@H]2C[C@@H](Sc3ccccc3)C(C)(C)O2)C[C@H]1Sc1ccccc1
InChIInChI=1S/C24H30O2S2/c1-23(2)21(27-17-11-7-5-8-12-17)15-19(25-23)20-16-22(24(3,4)26-20)28-18-13-9-6-10-14-18/h5-14,19-22H,15-16H2,1-4H3/t19-,20-,21-,22-/m1/s1
InChIKeyUYZVOMZGQDYSSY-GXRSIYKFSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.64
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane with MolForge

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Related Compounds

(3R,4aR,7R,8aR)-2,2,6,6-tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 11258503
(3S,4aR,7R,8aS)-2,2,6,6-tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 101265138
(3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyl-2-phenylsulfanyloxolane
CID 134970894
(2R,3S,5R)-2-[(2R)-1-(benzenesulfonyl)propan-2-yl]-5-(1-methoxyethyl)-3-methyloxolane
CID 134973582
3-[Bis(phenylsulfanyl)methyl]-2-pentyloxolane
CID 135021690
(1S)-1-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]ethanol
CID 12008237
(1S)-1-[(2S,4S)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]ethanol
CID 12008239
[(2R,4R)-4-phenylsulfanyl-1-oxaspiro[4.5]decan-2-yl]methanol
CID 12027293
4-[5-Ethyl-3-methyl-4-(phenylsulfanylmethyl)oxolan-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 18716219
(2R,4R)-2-[[(2S,3S,4R)-4-methoxy-3-(phenylsulfanylmethyl)oxolan-2-yl]methyl]-4-methyl-3-methylideneoxane
CID 155130373
2,2,6,6-Tetramethyl-3,7-bis(phenylsulfanyl)-3,4,4a,7,8,8a-hexahydropyrano[3,2-b]pyran
CID 5252094
(2R)-2-[(2R)-oxolan-2-yl]-4-phenylsulfanylbutan-2-ol
CID 10332467

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane?
The IUPAC name of (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane (CID 11407334) is (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane.
What is the SMILES notation for (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane?
The canonical SMILES for (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane is CC1(C)O[C@@H]([C@H]2C[C@@H](Sc3ccccc3)C(C)(C)O2)C[C@H]1Sc1ccccc1.
What is the InChIKey of (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane?
The InChIKey is UYZVOMZGQDYSSY-GXRSIYKFSA-N. The full InChI is InChI=1S/C24H30O2S2/c1-23(2)21(27-17-11-7-5-8-12-17)15-19(25-23)20-16-22(24(3,4)26-20)28-18-13-9-6-10-14-18/h5-14,19-22H,15-16H2,1-4H3/t19-,20-,21-,22-/m1/s1.
What are the key properties of (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane?
(3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane has a molecular weight of 414.64 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-5-[(2R,4R)-5,5-dimethyl-4-phenylsulfanyloxolan-2-yl]-2,2-dimethyl-3-phenylsulfanyloxolane is sourced from PubChem (CID 11407334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).