2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane

C13H26S — CID 155207286

IUPAC2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane
SMILESC=C(CCC(C)(C)SC(C)C)C(C)C
InChIInChI=1S/C13H26S/c1-10(2)12(5)8-9-13(6,7)14-11(3)4/h10-11H,5,8-9H2,1-4,6-7H3
InChIKeyOFMRNAKPKLGDJJ-UHFFFAOYSA-N
MW214.42 g/mol
LogP4.90
Rot. Bonds6

About 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane

2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane (PubChem CID 155207286) has the molecular formula C13H26S and a molecular weight of 214.42 g/mol. Its IUPAC name is 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane.

Molecular Properties

Compound Name2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane
PubChem CID155207286
Molecular FormulaC13H26S
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane
SMILESC=C(CCC(C)(C)SC(C)C)C(C)C
InChIInChI=1S/C13H26S/c1-10(2)12(5)8-9-13(6,7)14-11(3)4/h10-11H,5,8-9H2,1-4,6-7H3
InChIKeyOFMRNAKPKLGDJJ-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane 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 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane?
The IUPAC name of 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane (CID 155207286) is 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane.
What is the SMILES notation for 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane?
The canonical SMILES for 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane is C=C(CCC(C)(C)SC(C)C)C(C)C.
What is the InChIKey of 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane?
The InChIKey is OFMRNAKPKLGDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26S/c1-10(2)12(5)8-9-13(6,7)14-11(3)4/h10-11H,5,8-9H2,1-4,6-7H3.
What are the key properties of 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane?
2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane has a molecular weight of 214.42 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-methylidene-2-propan-2-ylsulfanylheptane is sourced from PubChem (CID 155207286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).