(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone

C11H18O2S — CID 81451224

IUPAC(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1OCCC1C(=O)C1(C)CCCS1
InChIInChI=1S/C11H18O2S/c1-8-9(4-6-13-8)10(12)11(2)5-3-7-14-11/h8-9H,3-7H2,1-2H3
InChIKeyUJRMPCBDFCZBEC-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.27
Rot. Bonds2

About (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone

(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone (PubChem CID 81451224) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone
PubChem CID81451224
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone
SMILESCC1OCCC1C(=O)C1(C)CCCS1
InChIInChI=1S/C11H18O2S/c1-8-9(4-6-13-8)10(12)11(2)5-3-7-14-11/h8-9H,3-7H2,1-2H3
InChIKeyUJRMPCBDFCZBEC-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone?
The IUPAC name of (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone (CID 81451224) is (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone is CC1OCCC1C(=O)C1(C)CCCS1.
What is the InChIKey of (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone?
The InChIKey is UJRMPCBDFCZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8-9(4-6-13-8)10(12)11(2)5-3-7-14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone?
(2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone has a molecular weight of 214.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyloxolan-3-yl)-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81451224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).