2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine

C12H23NS — CID 3058776

IUPAC2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine
SMILESCC(C)=CCCC(C)CC1NCCS1
InChIInChI=1S/C12H23NS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyOCSCKACVZOUIFF-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.42
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine

2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine (PubChem CID 3058776) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine
PubChem CID3058776
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Name2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine
SMILESCC(C)=CCCC(C)CC1NCCS1
InChIInChI=1S/C12H23NS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-13H,4,6-9H2,1-3H3
InChIKeyOCSCKACVZOUIFF-UHFFFAOYSA-N
XLogP3.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine (CID 3058776) is 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine is CC(C)=CCCC(C)CC1NCCS1.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine?
The InChIKey is OCSCKACVZOUIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-13H,4,6-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine?
2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-1,3-thiazolidine is sourced from PubChem (CID 3058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).