(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol

C11H22O2S — CID 142254260

IUPAC(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)S(C)(C)O[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C11H22O2S/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyCMERNIPUWBQMFH-UWVGGRQHSA-N
MW218.36 g/mol
LogP2.47
Rot. Bonds2

About (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol

(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol (PubChem CID 142254260) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol
PubChem CID142254260
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol
SMILESCC(C)(C)S(C)(C)O[C@H]1C=C[C@H](O)C1
InChIInChI=1S/C11H22O2S/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyCMERNIPUWBQMFH-UWVGGRQHSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
CID 134896261
Tert-butyl(trimethyl)-lambda4-sulfane;cyclopent-2-en-1-ol
CID 142254234
(1S,4S)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254257
(1S,4R)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254316

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol (CID 142254260) is (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol is CC(C)(C)S(C)(C)O[C@H]1C=C[C@H](O)C1.
What is the InChIKey of (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol?
The InChIKey is CMERNIPUWBQMFH-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H22O2S/c1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h6-7,9-10,12H,8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol?
(1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol has a molecular weight of 218.36 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[tert-butyl(dimethyl)-λ4-sulfanyl]oxycyclopent-2-en-1-ol is sourced from PubChem (CID 142254260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).