tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol

C16H32OS — CID 142363886

IUPACtert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CC=CC1.CC(C)(C)S(C)(C)C
InChIInChI=1S/C9H14O.C7H18S/c1-2-5-9(10)8-6-3-4-7-8;1-7(2,3)8(4,5)6/h2-4,8-10H,1,5-7H2;1-6H3
InChIKeyJEPURLPRKRMZQX-UHFFFAOYSA-N
MW272.50 g/mol
LogP4.37
Rot. Bonds3

About tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol

tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol (PubChem CID 142363886) has the molecular formula C16H32OS and a molecular weight of 272.50 g/mol. Its IUPAC name is tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol.

Molecular Properties

Compound Nametert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol
PubChem CID142363886
Molecular FormulaC16H32OS
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Nametert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol
SMILESC=CCC(O)C1CC=CC1.CC(C)(C)S(C)(C)C
InChIInChI=1S/C9H14O.C7H18S/c1-2-5-9(10)8-6-3-4-7-8;1-7(2,3)8(4,5)6/h2-4,8-10H,1,5-7H2;1-6H3
InChIKeyJEPURLPRKRMZQX-UHFFFAOYSA-N
XLogP4.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-1-[(1S,5S)-5-ethenylcyclopent-2-en-1-yl]-2-ethylsulfanylbut-3-en-1-ol
CID 638932
1-(5-Ethenylcyclopent-2-en-1-yl)-2-ethylsulfanylbut-3-en-1-ol
CID 22298064
(1-Cyclohexa-2,4-dien-1-yl-1-hydroxy-2-methylpropan-2-yl)-dioctylsulfanium
CID 59999978
1-Cyclopent-2-en-1-yl-2-[dimethyl(methyl)-lambda4-sulfanyl]ethanol
CID 91475778
(E,3S)-6-cyclopentylhex-5-en-3-ol;ethane;iodomethane;2-methyl-1-propylsulfanylbut-2-ene
CID 141777346
2-[Butyl(butylidene)-lambda4-sulfanyl]-1-(5-methylcyclohex-3-en-1-yl)ethanol
CID 145553724

Frequently Asked Questions

What is the IUPAC name of tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol?
The IUPAC name of tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol (CID 142363886) is tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol.
What is the SMILES notation for tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol?
The canonical SMILES for tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol is C=CCC(O)C1CC=CC1.CC(C)(C)S(C)(C)C.
What is the InChIKey of tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol?
The InChIKey is JEPURLPRKRMZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O.C7H18S/c1-2-5-9(10)8-6-3-4-7-8;1-7(2,3)8(4,5)6/h2-4,8-10H,1,5-7H2;1-6H3.
What are the key properties of tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol?
tert-butyl(trimethyl)-λ4-sulfane;1-cyclopent-3-en-1-ylbut-3-en-1-ol has a molecular weight of 272.50 g/mol, XLogP of 4.37, 3 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;1-cyclopent-3-en-1-ylbut-3-en-1-ol is sourced from PubChem (CID 142363886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).