2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol

C8H14OS — CID 105110408

IUPAC2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCCS1
InChIInChI=1S/C8H14OS/c1-6(2)8(9)7-4-3-5-10-7/h7-9H,1,3-5H2,2H3
InChIKeySDYZDXYJNSVSPS-UHFFFAOYSA-N
MW158.27 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol

2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol (PubChem CID 105110408) has the molecular formula C8H14OS and a molecular weight of 158.27 g/mol. Its IUPAC name is 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol
PubChem CID105110408
Molecular FormulaC8H14OS
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Name2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol
SMILESC=C(C)C(O)C1CCCS1
InChIInChI=1S/C8H14OS/c1-6(2)8(9)7-4-3-5-10-7/h7-9H,1,3-5H2,2H3
InChIKeySDYZDXYJNSVSPS-UHFFFAOYSA-N
XLogP1.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol (CID 105110408) is 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol is C=C(C)C(O)C1CCCS1.
What is the InChIKey of 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol?
The InChIKey is SDYZDXYJNSVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS/c1-6(2)8(9)7-4-3-5-10-7/h7-9H,1,3-5H2,2H3.
What are the key properties of 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol?
2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol has a molecular weight of 158.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiolan-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 105110408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).