2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde

C10H18O2S — CID 118437134

IUPAC2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde
SMILESCC1(CC=O)CCC(C(C)(C)O)S1
InChIInChI=1S/C10H18O2S/c1-9(2,12)8-4-5-10(3,13-8)6-7-11/h7-8,12H,4-6H2,1-3H3
InChIKeyQJJDWGOKEGDADI-UHFFFAOYSA-N
MW202.32 g/mol
LogP2.00
Rot. Bonds3

About 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde

2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde (PubChem CID 118437134) has the molecular formula C10H18O2S and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde
PubChem CID118437134
Molecular FormulaC10H18O2S
Molecular Weight202.32 g/mol
Exact Mass202.10
IUPAC Name2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde
SMILESCC1(CC=O)CCC(C(C)(C)O)S1
InChIInChI=1S/C10H18O2S/c1-9(2,12)8-4-5-10(3,13-8)6-7-11/h7-8,12H,4-6H2,1-3H3
InChIKeyQJJDWGOKEGDADI-UHFFFAOYSA-N
XLogP2.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde?
The IUPAC name of 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde (CID 118437134) is 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde?
The canonical SMILES for 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde is CC1(CC=O)CCC(C(C)(C)O)S1.
What is the InChIKey of 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde?
The InChIKey is QJJDWGOKEGDADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2S/c1-9(2,12)8-4-5-10(3,13-8)6-7-11/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde?
2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde has a molecular weight of 202.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]acetaldehyde is sourced from PubChem (CID 118437134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).