(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol

C9H18O2S — CID 135038959

IUPAC(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@@H](O)CSC(C)(C)C
InChIInChI=1S/C9H18O2S/c1-5-7(10)8(11)6-12-9(2,3)4/h5,7-8,10-11H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyDNJPPDYQFVGMNE-YUMQZZPRSA-N
MW190.31 g/mol
LogP1.43
Rot. Bonds4

About (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol

(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol (PubChem CID 135038959) has the molecular formula C9H18O2S and a molecular weight of 190.31 g/mol. Its IUPAC name is (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol
PubChem CID135038959
Molecular FormulaC9H18O2S
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol
SMILESC=C[C@H](O)[C@@H](O)CSC(C)(C)C
InChIInChI=1S/C9H18O2S/c1-5-7(10)8(11)6-12-9(2,3)4/h5,7-8,10-11H,1,6H2,2-4H3/t7-,8-/m0/s1
InChIKeyDNJPPDYQFVGMNE-YUMQZZPRSA-N
XLogP1.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol?
The IUPAC name of (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol (CID 135038959) is (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol.
What is the SMILES notation for (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol?
The canonical SMILES for (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol is C=C[C@H](O)[C@@H](O)CSC(C)(C)C.
What is the InChIKey of (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol?
The InChIKey is DNJPPDYQFVGMNE-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18O2S/c1-5-7(10)8(11)6-12-9(2,3)4/h5,7-8,10-11H,1,6H2,2-4H3/t7-,8-/m0/s1.
What are the key properties of (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol?
(2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol has a molecular weight of 190.31 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-tert-butylsulfanylpent-4-ene-2,3-diol is sourced from PubChem (CID 135038959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).