(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol

C16H22O3S — CID 11000894

IUPAC(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CS(=O)(=O)c1ccccc1)CO
InChIInChI=1S/C16H22O3S/c1-14(7-6-8-15(2)13-17)11-12-20(18,19)16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyWBZHBFXJQWQAPK-GGQZXFEVSA-N
MW294.42 g/mol
LogP3.13
Rot. Bonds7

About (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol

(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol (PubChem CID 11000894) has the molecular formula C16H22O3S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol
PubChem CID11000894
Molecular FormulaC16H22O3S
Molecular Weight294.42 g/mol
Exact Mass294.13
IUPAC Name(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol
SMILESC/C(=C\CC/C(C)=C/CS(=O)(=O)c1ccccc1)CO
InChIInChI=1S/C16H22O3S/c1-14(7-6-8-15(2)13-17)11-12-20(18,19)16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+
InChIKeyWBZHBFXJQWQAPK-GGQZXFEVSA-N
XLogP3.13
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
2-(Phenylsulfonyl)ethanol
CID 30202
(Z)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
CID 5389617
10-(Benzenesulfonyl)deca-2,8-diyn-1-ol
CID 10062817
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
(E)-1-(p-Tolylsulfonyl)-1-propen-3-ol
CID 1735958
11-(Benzenesulfonyl)undeca-2,9-diyn-1-ol
CID 44326840
1-(Benzenesulfonyl)hept-2-yn-4-ol
CID 44326882
9-(Benzenesulfonyl)nona-2,7-diyn-1-ol
CID 44326929
1-(Benzenesulfonyl)propan-2-ol
CID 547258
Geranylphenylsulfone
CID 9795649
(((2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)sulfonyl)benzene
CID 10958949

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol (CID 11000894) is (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol is C/C(=C\CC/C(C)=C/CS(=O)(=O)c1ccccc1)CO.
What is the InChIKey of (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol?
The InChIKey is WBZHBFXJQWQAPK-GGQZXFEVSA-N. The full InChI is InChI=1S/C16H22O3S/c1-14(7-6-8-15(2)13-17)11-12-20(18,19)16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3/b14-11+,15-8+.
What are the key properties of (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol?
(2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol has a molecular weight of 294.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-8-(benzenesulfonyl)-2,6-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 11000894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).