(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene

C14H28O2S — CID 59990329

IUPAC(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene
SMILESCC(C)(C)/C=C\CCCS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C14H28O2S/c1-13(2,3)10-8-7-9-11-17(15,16)12-14(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8-
InChIKeyQSKRRBJWKYOSNJ-NTMALXAHSA-N
MW260.44 g/mol
LogP3.83
Rot. Bonds5

About (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene

(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene (PubChem CID 59990329) has the molecular formula C14H28O2S and a molecular weight of 260.44 g/mol. Its IUPAC name is (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene.

Molecular Properties

Compound Name(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene
PubChem CID59990329
Molecular FormulaC14H28O2S
Molecular Weight260.44 g/mol
Exact Mass260.18
IUPAC Name(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene
SMILESCC(C)(C)/C=C\CCCS(=O)(=O)CC(C)(C)C
InChIInChI=1S/C14H28O2S/c1-13(2,3)10-8-7-9-11-17(15,16)12-14(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8-
InChIKeyQSKRRBJWKYOSNJ-NTMALXAHSA-N
XLogP3.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.44
LogP ≤ 53.83
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-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-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-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene?
The IUPAC name of (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene (CID 59990329) is (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene.
What is the SMILES notation for (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene?
The canonical SMILES for (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene is CC(C)(C)/C=C\CCCS(=O)(=O)CC(C)(C)C.
What is the InChIKey of (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene?
The InChIKey is QSKRRBJWKYOSNJ-NTMALXAHSA-N. The full InChI is InChI=1S/C14H28O2S/c1-13(2,3)10-8-7-9-11-17(15,16)12-14(4,5)6/h8,10H,7,9,11-12H2,1-6H3/b10-8-.
What are the key properties of (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene?
(Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene has a molecular weight of 260.44 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(2,2-dimethylpropylsulfonyl)-2,2-dimethylhept-3-ene is sourced from PubChem (CID 59990329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).