(2Z)-2-(2-methylsulfanylpropylidene)oxonane

C12H22OS — CID 10036199

IUPAC(2Z)-2-(2-methylsulfanylpropylidene)oxonane
SMILESCSC(C)/C=C1/CCCCCCCO1
InChIInChI=1S/C12H22OS/c1-11(14-2)10-12-8-6-4-3-5-7-9-13-12/h10-11H,3-9H2,1-2H3/b12-10-
InChIKeyVIJHJPZMRZPJIP-BENRWUELSA-N
MW214.37 g/mol
LogP3.99
Rot. Bonds2

About (2Z)-2-(2-methylsulfanylpropylidene)oxonane

(2Z)-2-(2-methylsulfanylpropylidene)oxonane (PubChem CID 10036199) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is (2Z)-2-(2-methylsulfanylpropylidene)oxonane.

Molecular Properties

Compound Name(2Z)-2-(2-methylsulfanylpropylidene)oxonane
PubChem CID10036199
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name(2Z)-2-(2-methylsulfanylpropylidene)oxonane
SMILESCSC(C)/C=C1/CCCCCCCO1
InChIInChI=1S/C12H22OS/c1-11(14-2)10-12-8-6-4-3-5-7-9-13-12/h10-11H,3-9H2,1-2H3/b12-10-
InChIKeyVIJHJPZMRZPJIP-BENRWUELSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxonane?
The IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxonane (CID 10036199) is (2Z)-2-(2-methylsulfanylpropylidene)oxonane.
What is the SMILES notation for (2Z)-2-(2-methylsulfanylpropylidene)oxonane?
The canonical SMILES for (2Z)-2-(2-methylsulfanylpropylidene)oxonane is CSC(C)/C=C1/CCCCCCCO1.
What is the InChIKey of (2Z)-2-(2-methylsulfanylpropylidene)oxonane?
The InChIKey is VIJHJPZMRZPJIP-BENRWUELSA-N. The full InChI is InChI=1S/C12H22OS/c1-11(14-2)10-12-8-6-4-3-5-7-9-13-12/h10-11H,3-9H2,1-2H3/b12-10-.
What are the key properties of (2Z)-2-(2-methylsulfanylpropylidene)oxonane?
(2Z)-2-(2-methylsulfanylpropylidene)oxonane has a molecular weight of 214.37 g/mol, XLogP of 3.99, 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)oxonane is sourced from PubChem (CID 10036199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).