[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol

C15H28O2S — CID 134402660

IUPAC[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol
SMILESC=C[C@@H]1C[C@H](/C=C\CS(C)(C)C)[C@@H](CO)[C@H]1CO
InChIInChI=1S/C15H28O2S/c1-5-12-9-13(7-6-8-18(2,3)4)15(11-17)14(12)10-16/h5-7,12-17H,1,8-11H2,2-4H3/b7-6-/t12-,13+,14+,15-/m1/s1
InChIKeyXXXWZTPAKGTKKH-VNVUUIGHSA-N
MW272.45 g/mol
LogP2.28
Rot. Bonds6

About [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol

[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol (PubChem CID 134402660) has the molecular formula C15H28O2S and a molecular weight of 272.45 g/mol. Its IUPAC name is [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol
PubChem CID134402660
Molecular FormulaC15H28O2S
Molecular Weight272.45 g/mol
Exact Mass272.18
IUPAC Name[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol
SMILESC=C[C@@H]1C[C@H](/C=C\CS(C)(C)C)[C@@H](CO)[C@H]1CO
InChIInChI=1S/C15H28O2S/c1-5-12-9-13(7-6-8-18(2,3)4)15(11-17)14(12)10-16/h5-7,12-17H,1,8-11H2,2-4H3/b7-6-/t12-,13+,14+,15-/m1/s1
InChIKeyXXXWZTPAKGTKKH-VNVUUIGHSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.45
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol?
The IUPAC name of [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol (CID 134402660) is [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol.
What is the SMILES notation for [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol?
The canonical SMILES for [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol is C=C[C@@H]1C[C@H](/C=C\CS(C)(C)C)[C@@H](CO)[C@H]1CO.
What is the InChIKey of [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol?
The InChIKey is XXXWZTPAKGTKKH-VNVUUIGHSA-N. The full InChI is InChI=1S/C15H28O2S/c1-5-12-9-13(7-6-8-18(2,3)4)15(11-17)14(12)10-16/h5-7,12-17H,1,8-11H2,2-4H3/b7-6-/t12-,13+,14+,15-/m1/s1.
What are the key properties of [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol?
[(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol has a molecular weight of 272.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3R,5S)-5-ethenyl-2-(hydroxymethyl)-3-[(Z)-3-(trimethyl-λ4-sulfanyl)prop-1-enyl]cyclopentyl]methanol is sourced from PubChem (CID 134402660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).