(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran

C17H24OS — CID 639208

IUPAC(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran
SMILESCCC[C@H](C)[C@H]1OC(C)=C(Sc2ccccc2)[C@H]1C
InChIInChI=1S/C17H24OS/c1-5-9-12(2)16-13(3)17(14(4)18-16)19-15-10-7-6-8-11-15/h6-8,10-13,16H,5,9H2,1-4H3/t12-,13-,16+/m0/s1
InChIKeyNQENFOWWJBIXAT-HEHGZKQESA-N
MW276.44 g/mol
LogP5.48
Rot. Bonds5

About (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran

(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran (PubChem CID 639208) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran.

Molecular Properties

Compound Name(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran
PubChem CID639208
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran
SMILESCCC[C@H](C)[C@H]1OC(C)=C(Sc2ccccc2)[C@H]1C
InChIInChI=1S/C17H24OS/c1-5-9-12(2)16-13(3)17(14(4)18-16)19-15-10-7-6-8-11-15/h6-8,10-13,16H,5,9H2,1-4H3/t12-,13-,16+/m0/s1
InChIKeyNQENFOWWJBIXAT-HEHGZKQESA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.44
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-4-phenylsulfanyl-2,3-dihydrofuran
CID 10845967
3,5-Dimethyl-2-pentan-2-yl-4-phenylsulfanyl-2,3-dihydrofuran
CID 21581409
Oxirane, 2,2-dimethyl-3-[3,7-dimethyl-9-(phenylthio)-3,7-nonadienyl]
CID 5367552
2-Methyl-3-phenylsulfanyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran
CID 10538407
(2S,3R)-2-methyl-2-(4-methylpent-3-enyl)-3-(phenylsulfanylmethyl)oxirane
CID 11118886
2-(1-Phenylsulfanylcyclohexyl)oxolane
CID 11425510
(E)-1-methoxy-3-methyl-3-phenylsulfanylundec-1-en-5-ol
CID 14934690
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclohexyl)oxetane
CID 15314914
[(E)-methoxy-[(5S)-3-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]methyl]sulfanylbenzene
CID 134921286
(2S,3S)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927612
(2S,3R)-3-methyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134927737
3,3-Dimethyl-2-(1-phenylsulfanylcyclopentyl)oxetane
CID 134992721

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran?
The IUPAC name of (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran (CID 639208) is (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran.
What is the SMILES notation for (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran?
The canonical SMILES for (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran is CCC[C@H](C)[C@H]1OC(C)=C(Sc2ccccc2)[C@H]1C.
What is the InChIKey of (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran?
The InChIKey is NQENFOWWJBIXAT-HEHGZKQESA-N. The full InChI is InChI=1S/C17H24OS/c1-5-9-12(2)16-13(3)17(14(4)18-16)19-15-10-7-6-8-11-15/h6-8,10-13,16H,5,9H2,1-4H3/t12-,13-,16+/m0/s1.
What are the key properties of (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran?
(2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran has a molecular weight of 276.44 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3,5-dimethyl-2-[(2S)-pentan-2-yl]-4-phenylsulfanyl-2,3-dihydrofuran is sourced from PubChem (CID 639208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).