(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane

C10H18S — CID 146324213

IUPAC(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane
SMILESCC1SCC/C1=C\C(C)(C)C
InChIInChI=1S/C10H18S/c1-8-9(5-6-11-8)7-10(2,3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyHOKGNKYBTKIBJD-VQHVLOKHSA-N
MW170.32 g/mol
LogP3.48
Rot. Bonds

About (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane

(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane (PubChem CID 146324213) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane.

Molecular Properties

Compound Name(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane
PubChem CID146324213
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane
SMILESCC1SCC/C1=C\C(C)(C)C
InChIInChI=1S/C10H18S/c1-8-9(5-6-11-8)7-10(2,3)4/h7-8H,5-6H2,1-4H3/b9-7+
InChIKeyHOKGNKYBTKIBJD-VQHVLOKHSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane?
The IUPAC name of (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane (CID 146324213) is (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane.
What is the SMILES notation for (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane?
The canonical SMILES for (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane is CC1SCC/C1=C\C(C)(C)C.
What is the InChIKey of (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane?
The InChIKey is HOKGNKYBTKIBJD-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18S/c1-8-9(5-6-11-8)7-10(2,3)4/h7-8H,5-6H2,1-4H3/b9-7+.
What are the key properties of (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane?
(3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane has a molecular weight of 170.32 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2-dimethylpropylidene)-2-methylthiolane is sourced from PubChem (CID 146324213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).