(Z)-7-tert-butylsulfonylhept-3-ene

C11H22O2S — CID 89057476

IUPAC(Z)-7-tert-butylsulfonylhept-3-ene
SMILESCC/C=C\CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22O2S/c1-5-6-7-8-9-10-14(12,13)11(2,3)4/h6-7H,5,8-10H2,1-4H3/b7-6-
InChIKeyYLADXCYXFIYERP-SREVYHEPSA-N
MW218.36 g/mol
LogP2.95
Rot. Bonds5

About (Z)-7-tert-butylsulfonylhept-3-ene

(Z)-7-tert-butylsulfonylhept-3-ene (PubChem CID 89057476) has the molecular formula C11H22O2S and a molecular weight of 218.36 g/mol. Its IUPAC name is (Z)-7-tert-butylsulfonylhept-3-ene.

Molecular Properties

Compound Name(Z)-7-tert-butylsulfonylhept-3-ene
PubChem CID89057476
Molecular FormulaC11H22O2S
Molecular Weight218.36 g/mol
Exact Mass218.13
IUPAC Name(Z)-7-tert-butylsulfonylhept-3-ene
SMILESCC/C=C\CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H22O2S/c1-5-6-7-8-9-10-14(12,13)11(2,3)4/h6-7H,5,8-10H2,1-4H3/b7-6-
InChIKeyYLADXCYXFIYERP-SREVYHEPSA-N
XLogP2.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-7-tert-butylsulfonylhept-3-ene 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 (Z)-7-tert-butylsulfonylhept-3-ene?
The IUPAC name of (Z)-7-tert-butylsulfonylhept-3-ene (CID 89057476) is (Z)-7-tert-butylsulfonylhept-3-ene.
What is the SMILES notation for (Z)-7-tert-butylsulfonylhept-3-ene?
The canonical SMILES for (Z)-7-tert-butylsulfonylhept-3-ene is CC/C=C\CCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of (Z)-7-tert-butylsulfonylhept-3-ene?
The InChIKey is YLADXCYXFIYERP-SREVYHEPSA-N. The full InChI is InChI=1S/C11H22O2S/c1-5-6-7-8-9-10-14(12,13)11(2,3)4/h6-7H,5,8-10H2,1-4H3/b7-6-.
What are the key properties of (Z)-7-tert-butylsulfonylhept-3-ene?
(Z)-7-tert-butylsulfonylhept-3-ene has a molecular weight of 218.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-tert-butylsulfonylhept-3-ene is sourced from PubChem (CID 89057476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).