2-(3-methylbutylsulfanyl)prop-2-en-1-ol

C8H16OS — CID 13331387

IUPAC2-(3-methylbutylsulfanyl)prop-2-en-1-ol
SMILESC=C(CO)SCCC(C)C
InChIInChI=1S/C8H16OS/c1-7(2)4-5-10-8(3)6-9/h7,9H,3-6H2,1-2H3
InChIKeyMHDFEHUDVNAXQH-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.27
Rot. Bonds5

About 2-(3-methylbutylsulfanyl)prop-2-en-1-ol

2-(3-methylbutylsulfanyl)prop-2-en-1-ol (PubChem CID 13331387) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-(3-methylbutylsulfanyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-(3-methylbutylsulfanyl)prop-2-en-1-ol
PubChem CID13331387
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-(3-methylbutylsulfanyl)prop-2-en-1-ol
SMILESC=C(CO)SCCC(C)C
InChIInChI=1S/C8H16OS/c1-7(2)4-5-10-8(3)6-9/h7,9H,3-6H2,1-2H3
InChIKeyMHDFEHUDVNAXQH-UHFFFAOYSA-N
XLogP2.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propylsulfanylprop-2-en-1-ol
CID 13331382
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
2-Butylsulfanylprop-2-en-1-ol
CID 15575918
(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
3-(3,3-Dimethylbutylsulfanyl)prop-2-en-1-ol
CID 54498857
2-(3-Methylbutan-2-ylsulfanyl)prop-2-en-1-ol
CID 91347942
1-Pentylsulfanylprop-2-en-1-ol
CID 173655073
2-(2-Methylpropylsulfanyl)prop-2-en-1-ol
CID 13331384
2-Pentan-3-ylsulfanylprop-2-en-1-ol
CID 13331388
(E)-3-(2-methylbutan-2-ylsulfanyl)prop-2-en-1-ol
CID 13331389
(E)-3-(3-methylbutylsulfanyl)prop-2-en-1-ol
CID 13331403

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylsulfanyl)prop-2-en-1-ol?
The IUPAC name of 2-(3-methylbutylsulfanyl)prop-2-en-1-ol (CID 13331387) is 2-(3-methylbutylsulfanyl)prop-2-en-1-ol.
What is the SMILES notation for 2-(3-methylbutylsulfanyl)prop-2-en-1-ol?
The canonical SMILES for 2-(3-methylbutylsulfanyl)prop-2-en-1-ol is C=C(CO)SCCC(C)C.
What is the InChIKey of 2-(3-methylbutylsulfanyl)prop-2-en-1-ol?
The InChIKey is MHDFEHUDVNAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)4-5-10-8(3)6-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-(3-methylbutylsulfanyl)prop-2-en-1-ol?
2-(3-methylbutylsulfanyl)prop-2-en-1-ol has a molecular weight of 160.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylsulfanyl)prop-2-en-1-ol is sourced from PubChem (CID 13331387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).