(2-methylthiolan-2-yl)-(oxan-4-yl)methanol

C11H20O2S — CID 105097535

IUPAC(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
SMILESCC1(C(O)C2CCOCC2)CCCS1
InChIInChI=1S/C11H20O2S/c1-11(5-2-8-14-11)10(12)9-3-6-13-7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyYUKJTZAHPXHHPA-UHFFFAOYSA-N
MW216.35 g/mol
LogP2.06
Rot. Bonds2

About (2-methylthiolan-2-yl)-(oxan-4-yl)methanol

(2-methylthiolan-2-yl)-(oxan-4-yl)methanol (PubChem CID 105097535) has the molecular formula C11H20O2S and a molecular weight of 216.35 g/mol. Its IUPAC name is (2-methylthiolan-2-yl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
PubChem CID105097535
Molecular FormulaC11H20O2S
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name(2-methylthiolan-2-yl)-(oxan-4-yl)methanol
SMILESCC1(C(O)C2CCOCC2)CCCS1
InChIInChI=1S/C11H20O2S/c1-11(5-2-8-14-11)10(12)9-3-6-13-7-4-9/h9-10,12H,2-8H2,1H3
InChIKeyYUKJTZAHPXHHPA-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiolan-2-yl)-(oxan-4-yl)methanol?
The IUPAC name of (2-methylthiolan-2-yl)-(oxan-4-yl)methanol (CID 105097535) is (2-methylthiolan-2-yl)-(oxan-4-yl)methanol.
What is the SMILES notation for (2-methylthiolan-2-yl)-(oxan-4-yl)methanol?
The canonical SMILES for (2-methylthiolan-2-yl)-(oxan-4-yl)methanol is CC1(C(O)C2CCOCC2)CCCS1.
What is the InChIKey of (2-methylthiolan-2-yl)-(oxan-4-yl)methanol?
The InChIKey is YUKJTZAHPXHHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2S/c1-11(5-2-8-14-11)10(12)9-3-6-13-7-4-9/h9-10,12H,2-8H2,1H3.
What are the key properties of (2-methylthiolan-2-yl)-(oxan-4-yl)methanol?
(2-methylthiolan-2-yl)-(oxan-4-yl)methanol has a molecular weight of 216.35 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiolan-2-yl)-(oxan-4-yl)methanol is sourced from PubChem (CID 105097535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).