5-ethylsulfonylnona-1,3,5-triene

C11H18O2S — CID 91528996

IUPAC5-ethylsulfonylnona-1,3,5-triene
SMILESC=CC=CC(=CCCC)S(=O)(=O)CC
InChIInChI=1S/C11H18O2S/c1-4-7-9-11(10-8-5-2)14(12,13)6-3/h4,7,9-10H,1,5-6,8H2,2-3H3
InChIKeyJJQZDTHNCZQCAH-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.85
Rot. Bonds6

About 5-ethylsulfonylnona-1,3,5-triene

5-ethylsulfonylnona-1,3,5-triene (PubChem CID 91528996) has the molecular formula C11H18O2S and a molecular weight of 214.33 g/mol. Its IUPAC name is 5-ethylsulfonylnona-1,3,5-triene.

Molecular Properties

Compound Name5-ethylsulfonylnona-1,3,5-triene
PubChem CID91528996
Molecular FormulaC11H18O2S
Molecular Weight214.33 g/mol
Exact Mass214.10
IUPAC Name5-ethylsulfonylnona-1,3,5-triene
SMILESC=CC=CC(=CCCC)S(=O)(=O)CC
InChIInChI=1S/C11H18O2S/c1-4-7-9-11(10-8-5-2)14(12,13)6-3/h4,7,9-10H,1,5-6,8H2,2-3H3
InChIKeyJJQZDTHNCZQCAH-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
CID 143436314
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(E)-N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-methylhept-3-en-3-amine
CID 154957795
(3Z)-hepta-1,3-diene
CID 6427773
ethane;methyl (3E,5Z)-octa-1,3,5,7-tetraene-4-sulfonate
CID 145077139
(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 146621151
1-methylsulfonylpent-1-en-1-ol
CID 141149900
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5E)-5-methoxydeca-1,3,5-triene
CID 145391525
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene
CID 134243944
(3Z)-hepta-1,3-dien-3-ol
CID 102117961
1-[(3Z,5E)-nona-1,3,5-trien-5-yl]-3-pent-1-en-2-ylbenzene
CID 145461755

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonylnona-1,3,5-triene?
The IUPAC name of 5-ethylsulfonylnona-1,3,5-triene (CID 91528996) is 5-ethylsulfonylnona-1,3,5-triene.
What is the SMILES notation for 5-ethylsulfonylnona-1,3,5-triene?
The canonical SMILES for 5-ethylsulfonylnona-1,3,5-triene is C=CC=CC(=CCCC)S(=O)(=O)CC.
What is the InChIKey of 5-ethylsulfonylnona-1,3,5-triene?
The InChIKey is JJQZDTHNCZQCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2S/c1-4-7-9-11(10-8-5-2)14(12,13)6-3/h4,7,9-10H,1,5-6,8H2,2-3H3.
What are the key properties of 5-ethylsulfonylnona-1,3,5-triene?
5-ethylsulfonylnona-1,3,5-triene has a molecular weight of 214.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonylnona-1,3,5-triene is sourced from PubChem (CID 91528996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).