tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol

C12H26OS — CID 142254234

IUPACtert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol
SMILESCC(C)(C)S(C)(C)C.OC1C=CCC1
InChIInChI=1S/C7H18S.C5H8O/c1-7(2,3)8(4,5)6;6-5-3-1-2-4-5/h1-6H3;1,3,5-6H,2,4H2
InChIKeyWDLVTRFBRFVODI-UHFFFAOYSA-N
MW218.41 g/mol
LogP3.18
Rot. Bonds

About tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol

tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol (PubChem CID 142254234) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol.

Molecular Properties

Compound Nametert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol
PubChem CID142254234
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Nametert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol
SMILESCC(C)(C)S(C)(C)C.OC1C=CCC1
InChIInChI=1S/C7H18S.C5H8O/c1-7(2,3)8(4,5)6;6-5-3-1-2-4-5/h1-6H3;1,3,5-6H,2,4H2
InChIKeyWDLVTRFBRFVODI-UHFFFAOYSA-N
XLogP3.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E,5E)-1-propan-2-ylsulfanylhepta-1,5-dien-4-ol
CID 13263786
(E)-1-(1-methylsulfanylcyclopropyl)hex-2-en-1-ol
CID 134896261
(E,4S)-7-propylsulfanylhept-2-en-4-ol
CID 59752083
(4S)-7-propylsulfanylhept-2-en-4-ol
CID 91329442
3-(3-Ethenylsulfanylbut-3-en-2-ylidene)-2-ethylidenecyclopentan-1-ol
CID 123689040
(1S,4S)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254257
(1R,4R)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254260
(1S,4R)-4-[tert-butyl(dimethyl)-lambda4-sulfanyl]oxycyclopent-2-en-1-ol
CID 142254316
2-Ethyl-5-methyl-2,3-dihydrothiophen-3-ol
CID 150154498
2-Propan-2-ylsulfanylhex-4-en-3-ol
CID 154521593
(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-ol
CID 10997322
(E,2R,5R)-5-methylsulfanylnon-3-en-2-ol
CID 11309991

Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol?
The IUPAC name of tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol (CID 142254234) is tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol.
What is the SMILES notation for tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol?
The canonical SMILES for tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol is CC(C)(C)S(C)(C)C.OC1C=CCC1.
What is the InChIKey of tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol?
The InChIKey is WDLVTRFBRFVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18S.C5H8O/c1-7(2,3)8(4,5)6;6-5-3-1-2-4-5/h1-6H3;1,3,5-6H,2,4H2.
What are the key properties of tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol?
tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol has a molecular weight of 218.41 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(trimethyl)-λ4-sulfane;cyclopent-2-en-1-ol is sourced from PubChem (CID 142254234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).