(5-methyloxolan-3-yl)-(thian-2-yl)methanone

C11H18O2S — CID 114825811

IUPAC(5-methyloxolan-3-yl)-(thian-2-yl)methanone
SMILESCC1CC(C(=O)C2CCCCS2)CO1
InChIInChI=1S/C11H18O2S/c1-8-6-9(7-13-8)11(12)10-4-2-3-5-14-10/h8-10H,2-7H2,1H3
InChIKeyBYRVFVKMTDGGLF-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.27
Rot. Bonds2

About (5-methyloxolan-3-yl)-(thian-2-yl)methanone

(5-methyloxolan-3-yl)-(thian-2-yl)methanone (PubChem CID 114825811) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(thian-2-yl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(thian-2-yl)methanone
PubChem CID114825811
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name(5-methyloxolan-3-yl)-(thian-2-yl)methanone
SMILESCC1CC(C(=O)C2CCCCS2)CO1
InChIInChI=1S/C11H18O2S/c1-8-6-9(7-13-8)11(12)10-4-2-3-5-14-10/h8-10H,2-7H2,1H3
InChIKeyBYRVFVKMTDGGLF-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 (5-methyloxolan-3-yl)-(thian-2-yl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(thian-2-yl)methanone (CID 114825811) is (5-methyloxolan-3-yl)-(thian-2-yl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(thian-2-yl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(thian-2-yl)methanone is CC1CC(C(=O)C2CCCCS2)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-(thian-2-yl)methanone?
The InChIKey is BYRVFVKMTDGGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-8-6-9(7-13-8)11(12)10-4-2-3-5-14-10/h8-10H,2-7H2,1H3.
What are the key properties of (5-methyloxolan-3-yl)-(thian-2-yl)methanone?
(5-methyloxolan-3-yl)-(thian-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 (5-methyloxolan-3-yl)-(thian-2-yl)methanone is sourced from PubChem (CID 114825811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).