(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane

C10H20OS — CID 123679819

IUPAC(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane
SMILESCC=S(C)C1CC(C)(C)CCO1
InChIInChI=1S/C10H20OS/c1-5-12(4)9-8-10(2,3)6-7-11-9/h5,9H,6-8H2,1-4H3
InChIKeyGDMKZRFJJOIKRG-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.87
Rot. Bonds1

About (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane

(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane (PubChem CID 123679819) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane.

Molecular Properties

Compound Name(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane
PubChem CID123679819
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane
SMILESCC=S(C)C1CC(C)(C)CCO1
InChIInChI=1S/C10H20OS/c1-5-12(4)9-8-10(2,3)6-7-11-9/h5,9H,6-8H2,1-4H3
InChIKeyGDMKZRFJJOIKRG-UHFFFAOYSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane?
The IUPAC name of (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane (CID 123679819) is (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane.
What is the SMILES notation for (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane?
The canonical SMILES for (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane is CC=S(C)C1CC(C)(C)CCO1.
What is the InChIKey of (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane?
The InChIKey is GDMKZRFJJOIKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-5-12(4)9-8-10(2,3)6-7-11-9/h5,9H,6-8H2,1-4H3.
What are the key properties of (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane?
(4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane has a molecular weight of 188.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyloxan-2-yl)-ethylidene-methyl-λ4-sulfane is sourced from PubChem (CID 123679819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).