(2Z)-2-(2-methylsulfanylpropylidene)oxocane

C11H20OS — CID 10081519

IUPAC(2Z)-2-(2-methylsulfanylpropylidene)oxocane
SMILESCSC(C)/C=C1/CCCCCCO1
InChIInChI=1S/C11H20OS/c1-10(13-2)9-11-7-5-3-4-6-8-12-11/h9-10H,3-8H2,1-2H3/b11-9-
InChIKeyQSNLVBYEKIBSMR-LUAWRHEFSA-N
MW200.35 g/mol
LogP3.60
Rot. Bonds2

About (2Z)-2-(2-methylsulfanylpropylidene)oxocane

(2Z)-2-(2-methylsulfanylpropylidene)oxocane (PubChem CID 10081519) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is (2Z)-2-(2-methylsulfanylpropylidene)oxocane.

Molecular Properties

Compound Name(2Z)-2-(2-methylsulfanylpropylidene)oxocane
PubChem CID10081519
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2Z)-2-(2-methylsulfanylpropylidene)oxocane
SMILESCSC(C)/C=C1/CCCCCCO1
InChIInChI=1S/C11H20OS/c1-10(13-2)9-11-7-5-3-4-6-8-12-11/h9-10H,3-8H2,1-2H3/b11-9-
InChIKeyQSNLVBYEKIBSMR-LUAWRHEFSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2Z)-2-(2-methylsulfanylpropylidene)oxocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxocane?
The IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxocane (CID 10081519) is (2Z)-2-(2-methylsulfanylpropylidene)oxocane.
What is the SMILES notation for (2Z)-2-(2-methylsulfanylpropylidene)oxocane?
The canonical SMILES for (2Z)-2-(2-methylsulfanylpropylidene)oxocane is CSC(C)/C=C1/CCCCCCO1.
What is the InChIKey of (2Z)-2-(2-methylsulfanylpropylidene)oxocane?
The InChIKey is QSNLVBYEKIBSMR-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H20OS/c1-10(13-2)9-11-7-5-3-4-6-8-12-11/h9-10H,3-8H2,1-2H3/b11-9-.
What are the key properties of (2Z)-2-(2-methylsulfanylpropylidene)oxocane?
(2Z)-2-(2-methylsulfanylpropylidene)oxocane has a molecular weight of 200.35 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-methylsulfanylpropylidene)oxocane is sourced from PubChem (CID 10081519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).