chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane

C10H17ClS — CID 130183377

IUPACchloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane
SMILESC/C=C\C=C(/C=C\C)S(C)(C)Cl
InChIInChI=1S/C10H17ClS/c1-5-7-9-10(8-6-2)12(3,4)11/h5-9H,1-4H3/b7-5-,8-6-,10-9+
InChIKeyISYDMCLVADRYDW-LODOGNSSSA-N
MW204.77 g/mol
LogP4.24
Rot. Bonds3

About chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane

chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane (PubChem CID 130183377) has the molecular formula C10H17ClS and a molecular weight of 204.77 g/mol. Its IUPAC name is chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane.

Molecular Properties

Compound Namechloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane
PubChem CID130183377
Molecular FormulaC10H17ClS
Molecular Weight204.77 g/mol
Exact Mass204.07
IUPAC Namechloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane
SMILESC/C=C\C=C(/C=C\C)S(C)(C)Cl
InChIInChI=1S/C10H17ClS/c1-5-7-9-10(8-6-2)12(3,4)11/h5-9H,1-4H3/b7-5-,8-6-,10-9+
InChIKeyISYDMCLVADRYDW-LODOGNSSSA-N
XLogP4.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane 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 chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane?
The IUPAC name of chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane (CID 130183377) is chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane.
What is the SMILES notation for chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane?
The canonical SMILES for chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane is C/C=C\C=C(/C=C\C)S(C)(C)Cl.
What is the InChIKey of chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane?
The InChIKey is ISYDMCLVADRYDW-LODOGNSSSA-N. The full InChI is InChI=1S/C10H17ClS/c1-5-7-9-10(8-6-2)12(3,4)11/h5-9H,1-4H3/b7-5-,8-6-,10-9+.
What are the key properties of chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane?
chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane has a molecular weight of 204.77 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-λ4-sulfane is sourced from PubChem (CID 130183377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).