2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol

C8H16OS — CID 66104072

IUPAC2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CSCC(C)CO
InChIInChI=1S/C8H16OS/c1-7(2)5-10-6-8(3)4-9/h8-9H,1,4-6H2,2-3H3
InChIKeyPIOYXOBJCMFAHH-UHFFFAOYSA-N
MW160.28 g/mol
LogP1.92
Rot. Bonds5

About 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol

2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol (PubChem CID 66104072) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol
PubChem CID66104072
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Name2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol
SMILESC=C(C)CSCC(C)CO
InChIInChI=1S/C8H16OS/c1-7(2)5-10-6-8(3)4-9/h8-9H,1,4-6H2,2-3H3
InChIKeyPIOYXOBJCMFAHH-UHFFFAOYSA-N
XLogP1.92
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 ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The IUPAC name of 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol (CID 66104072) is 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol is C=C(C)CSCC(C)CO.
What is the InChIKey of 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol?
The InChIKey is PIOYXOBJCMFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS/c1-7(2)5-10-6-8(3)4-9/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol?
2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol has a molecular weight of 160.28 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol is sourced from PubChem (CID 66104072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).