5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde

C10H16O2S — CID 130692938

IUPAC5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde
SMILESCC1(C2CCC(C=O)O2)CCCS1
InChIInChI=1S/C10H16O2S/c1-10(5-2-6-13-10)9-4-3-8(7-11)12-9/h7-9H,2-6H2,1H3
InChIKeyCFRPPCVVHRXDDR-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.02
Rot. Bonds2

About 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde

5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde (PubChem CID 130692938) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde
PubChem CID130692938
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde
SMILESCC1(C2CCC(C=O)O2)CCCS1
InChIInChI=1S/C10H16O2S/c1-10(5-2-6-13-10)9-4-3-8(7-11)12-9/h7-9H,2-6H2,1H3
InChIKeyCFRPPCVVHRXDDR-UHFFFAOYSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.02
H-Bond Donors ≤ 50
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 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde?
The IUPAC name of 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde (CID 130692938) is 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde.
What is the SMILES notation for 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde?
The canonical SMILES for 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde is CC1(C2CCC(C=O)O2)CCCS1.
What is the InChIKey of 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde?
The InChIKey is CFRPPCVVHRXDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-10(5-2-6-13-10)9-4-3-8(7-11)12-9/h7-9H,2-6H2,1H3.
What are the key properties of 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde?
5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde has a molecular weight of 200.30 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylthiolan-2-yl)oxolane-2-carbaldehyde is sourced from PubChem (CID 130692938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).