(E)-4-(thiolan-3-yl)but-3-en-2-ol

C8H14OS — CID 107133946

IUPAC(E)-4-(thiolan-3-yl)but-3-en-2-ol
SMILESCC(O)/C=C/C1CCSC1
InChIInChI=1S/C8H14OS/c1-7(9)2-3-8-4-5-10-6-8/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyFCKYJOWJDFTQJB-NSCUHMNNSA-N
MW158.27 g/mol
LogP1.68
Rot. Bonds2

About (E)-4-(thiolan-3-yl)but-3-en-2-ol

(E)-4-(thiolan-3-yl)but-3-en-2-ol (PubChem CID 107133946) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (E)-4-(thiolan-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(thiolan-3-yl)but-3-en-2-ol
PubChem CID107133946
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(E)-4-(thiolan-3-yl)but-3-en-2-ol
SMILESCC(O)/C=C/C1CCSC1
InChIInChI=1S/C8H14OS/c1-7(9)2-3-8-4-5-10-6-8/h2-3,7-9H,4-6H2,1H3/b3-2+
InChIKeyFCKYJOWJDFTQJB-NSCUHMNNSA-N
XLogP1.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.68
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

(3-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 70248689
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
CID 89139064
[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
CID 89416457
[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
CID 90299717
(3-Methyl-2-prop-1-enyl-2,3-dihydrothiophen-5-yl)methanediol
CID 90940257
(2,3-Dimethyl-2,3-dihydrothiophen-5-yl)methanol
CID 90956335
1-(3,4-dimethyl-4H-thiopyran-2-yl)ethanol
CID 123800446
2-Propan-2-ylsulfanylhex-4-en-3-ol
CID 154521593
(5Z)-3-butylsulfanyl-7-methylocta-1,5-dien-4-ol
CID 166812762
1-(3,4-dihydro-2H-thiopyran-6-yl)-2-methylpropan-1-ol
CID 10103623
(E,2R,5S)-6,6-dimethyl-5-methylsulfanylhept-3-en-2-ol
CID 11159783
(E,2R,5R)-6-methyl-5-methylsulfanylhept-3-en-2-ol
CID 11321254

Frequently Asked Questions

What is the IUPAC name of (E)-4-(thiolan-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-(thiolan-3-yl)but-3-en-2-ol (CID 107133946) is (E)-4-(thiolan-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(thiolan-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(thiolan-3-yl)but-3-en-2-ol is CC(O)/C=C/C1CCSC1.
What is the InChIKey of (E)-4-(thiolan-3-yl)but-3-en-2-ol?
The InChIKey is FCKYJOWJDFTQJB-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14OS/c1-7(9)2-3-8-4-5-10-6-8/h2-3,7-9H,4-6H2,1H3/b3-2+.
What are the key properties of (E)-4-(thiolan-3-yl)but-3-en-2-ol?
(E)-4-(thiolan-3-yl)but-3-en-2-ol has a molecular weight of 158.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(thiolan-3-yl)but-3-en-2-ol is sourced from PubChem (CID 107133946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).