(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol

C8H14OS — CID 103971437

IUPAC(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CSC(C)C1
InChIInChI=1S/C8H14OS/c1-6(9)3-8-4-7(2)10-5-8/h3,6-7,9H,4-5H2,1-2H3/b8-3+
InChIKeyIIXLSOBWYZUOSA-FPYGCLRLSA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds1

About (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol

(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol (PubChem CID 103971437) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol.

Molecular Properties

Compound Name(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol
PubChem CID103971437
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol
SMILESCC(O)/C=C1/CSC(C)C1
InChIInChI=1S/C8H14OS/c1-6(9)3-8-4-7(2)10-5-8/h3,6-7,9H,4-5H2,1-2H3/b8-3+
InChIKeyIIXLSOBWYZUOSA-FPYGCLRLSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.82
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

(2E)-3,7-dimethyl-9-methylsulfanylnona-2,6-dien-1-ol
CID 162417045
(2Z,6E)-3-(1,3-dithiolan-2-yl)-2-fluoro-7,11-dimethyldodeca-2,6,10-trien-1-ol
CID 101027667
(2E,6E)-3-(1,3-dithiolan-2-yl)-2-fluoro-7,11-dimethyldodeca-2,6,10-trien-1-ol
CID 101027672
(5,5-dimethyl-2H-thiophen-3-yl)methanol
CID 19003454
(4E)-4-ethenyl-2-methyl-2-(thiolan-1-ium-1-yl)hepta-4,6-dien-3-ol
CID 58205897
(2-Methyl-2,3-dihydrothiophen-5-yl)methanol
CID 67962819
(3Z)-3-ethylidenethian-4-ol
CID 68033469
(2E,6E)-3,7-dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 88547643
(1S)-1-(2,3-dihydrothiophen-5-yl)ethanol
CID 89139064
[(2R)-2-propan-2-yl-2,3-dihydrothiophen-5-yl]methanol
CID 90299717
3,7-Dimethyl-8-propylsulfanylocta-2,6-dien-1-ol
CID 123680401
2-Methyl-1-[1-(1-methylthiolan-1-yl)cyclopropyl]pent-2-en-1-ol
CID 123971964

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol?
The IUPAC name of (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol (CID 103971437) is (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol.
What is the SMILES notation for (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol?
The canonical SMILES for (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol is CC(O)/C=C1/CSC(C)C1.
What is the InChIKey of (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol?
The InChIKey is IIXLSOBWYZUOSA-FPYGCLRLSA-N. The full InChI is InChI=1S/C8H14OS/c1-6(9)3-8-4-7(2)10-5-8/h3,6-7,9H,4-5H2,1-2H3/b8-3+.
What are the key properties of (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol?
(1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(5-methylthiolan-3-ylidene)propan-2-ol is sourced from PubChem (CID 103971437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).