2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol

C8H16OS — CID 130641116

IUPAC2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol
SMILESC=CC(C)SC(C)(C)CO
InChIInChI=1S/C8H16OS/c1-5-7(2)10-8(3,4)6-9/h5,7,9H,1,6H2,2-4H3
InChIKeyLWBRHYNJYFSDCB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

About 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol

2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol (PubChem CID 130641116) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol
PubChem CID130641116
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol
SMILESC=CC(C)SC(C)(C)CO
InChIInChI=1S/C8H16OS/c1-5-7(2)10-8(3,4)6-9/h5,7,9H,1,6H2,2-4H3
InChIKeyLWBRHYNJYFSDCB-UHFFFAOYSA-N
XLogP2.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.07
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

2-but-3-en-2-ylsulfanylethanol
CID 62382879
2-(but-3-en-2-ylamino)-2-methylpropane-1,3-diol
CID 107907644
2-methyl-2-[(E)-prop-1-enyl]butane-1,3-diol
CID 141407064
2-[(2R)-2-aminopropyl]sulfanyl-2-methylpropan-1-ol
CID 130752179
2-(1-hydroxy-2-propan-2-ylsulfanylpropan-2-yl)sulfanyl-2-propan-2-ylsulfanylpropan-1-ol
CID 54198001
2,2-dimethylpropan-1-ol;bis(prop-2-enoic acid)
CID 175907973
ethane-1,2-diol;propan-2-ol;prop-1-ene
CID 87786416
propane-1,2-diol;bis(prop-1-ene)
CID 87325568
2-ethenyl-2,5-dimethylhex-3-ene-1,6-diol
CID 57097818
4,4-dimethylpentan-1-ol;3-methylbut-1-ene
CID 157179674
2-methyl-2-[(4-propan-2-ylphenyl)methyl]but-3-en-1-ol
CID 102641912
2-ethenyl-4-methylpentan-1-ol
CID 14272515

Frequently Asked Questions

What is the IUPAC name of 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol?
The IUPAC name of 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol (CID 130641116) is 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol is C=CC(C)SC(C)(C)CO.
What is the InChIKey of 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol?
The InChIKey is LWBRHYNJYFSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-5-7(2)10-8(3,4)6-9/h5,7,9H,1,6H2,2-4H3.
What are the key properties of 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol?
2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-en-2-ylsulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 130641116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).