2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol

C8H16OS — CID 130620993

IUPAC2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CSC(C)(C)CO
InChIInChI=1S/C8H16OS/c1-7(2)5-10-8(3,4)6-9/h9H,1,5-6H2,2-4H3
InChIKeyMGEGMCFGEDCNBB-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.07
Rot. Bonds4

About 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol

2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol (PubChem CID 130620993) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
PubChem CID130620993
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CSC(C)(C)CO
InChIInChI=1S/C8H16OS/c1-7(2)5-10-8(3,4)6-9/h9H,1,5-6H2,2-4H3
InChIKeyMGEGMCFGEDCNBB-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

(2R)-2-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 10866481
2-((3-Methylbut-3-enyl)thio)ethanol
CID 3019038
2-[(2-Methyl-2-buten-1-yl)thio]ethanol
CID 3019041
2-((2-Methylbut-2-enyl)thio)ethanol
CID 6365820
(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
2-[(2-Methylprop-2-en-1-yl)sulfanyl]ethan-1-ol
CID 14602236
2-Methyl-1-methylsulfanylprop-2-en-1-ol
CID 21014894
Actinium;2-(tritiomethylsulfanylmethyl)prop-2-en-1-ol
CID 59073912
3-Heptylsulfanyl-2-methylprop-1-en-1-ol
CID 59116658
2-[2-(2-Hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 87094059
2,2-Dimethyl-3-prop-2-enylsulfanylpropan-1-ol
CID 87784881
2-Methyl-2-(prop-2-enylsulfanylmethyl)propane-1,3-diol
CID 88938609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol (CID 130620993) is 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol is C=C(C)CSC(C)(C)CO.
What is the InChIKey of 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The InChIKey is MGEGMCFGEDCNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)5-10-8(3,4)6-9/h9H,1,5-6H2,2-4H3.
What are the key properties of 2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol?
2-methyl-2-(2-methylprop-2-enylsulfanyl)propan-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-methyl-2-(2-methylprop-2-enylsulfanyl)propan-1-ol is sourced from PubChem (CID 130620993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).