1-penta-1,4-dienylsulfonylpenta-1,4-diene

C10H14O2S — CID 173151693

IUPAC1-penta-1,4-dienylsulfonylpenta-1,4-diene
SMILESC=CCC=CS(=O)(=O)C=CCC=C
InChIInChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyHEBPCMDPDYKFOI-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.58
Rot. Bonds6

About 1-penta-1,4-dienylsulfonylpenta-1,4-diene

1-penta-1,4-dienylsulfonylpenta-1,4-diene (PubChem CID 173151693) has the molecular formula C10H14O2S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-penta-1,4-dienylsulfonylpenta-1,4-diene.

Molecular Properties

Compound Name1-penta-1,4-dienylsulfonylpenta-1,4-diene
PubChem CID173151693
Molecular FormulaC10H14O2S
Molecular Weight198.29 g/mol
Exact Mass198.07
IUPAC Name1-penta-1,4-dienylsulfonylpenta-1,4-diene
SMILESC=CCC=CS(=O)(=O)C=CCC=C
InChIInChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4,7-10H,1-2,5-6H2
InChIKeyHEBPCMDPDYKFOI-UHFFFAOYSA-N
XLogP2.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

penta-1,4-diene-1-sulfonamide
CID 174872703
3-ethenylsulfonyl-N-(3-ethenylsulfonylprop-2-enyl)prop-2-en-1-amine
CID 173241464
1-but-1-enylsulfonylbut-1-ene
CID 123705607
(1E)-1-fluoropenta-1,4-diene
CID 87196328
hexa-1,4-diene
CID 163631115
1,2-bis(3-ethenylsulfonylprop-2-enyl)benzene
CID 173451557
(2E)-hexa-2,5-dien-1-one;yttrium(3+)
CID 20773911
(2Z)-hexa-2,5-dien-1-one;yttrium
CID 59997179
hydroxy hydrogen sulfate;penta-1,4-diene
CID 174393320
6-iodohexa-1,4-diene
CID 73158271
hexa-1,4-diene;hydrate
CID 162019515
N-[(1E)-penta-1,4-dienyl]formamide
CID 143527082

Frequently Asked Questions

What is the IUPAC name of 1-penta-1,4-dienylsulfonylpenta-1,4-diene?
The IUPAC name of 1-penta-1,4-dienylsulfonylpenta-1,4-diene (CID 173151693) is 1-penta-1,4-dienylsulfonylpenta-1,4-diene.
What is the SMILES notation for 1-penta-1,4-dienylsulfonylpenta-1,4-diene?
The canonical SMILES for 1-penta-1,4-dienylsulfonylpenta-1,4-diene is C=CCC=CS(=O)(=O)C=CCC=C.
What is the InChIKey of 1-penta-1,4-dienylsulfonylpenta-1,4-diene?
The InChIKey is HEBPCMDPDYKFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S/c1-3-5-7-9-13(11,12)10-8-6-4-2/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 1-penta-1,4-dienylsulfonylpenta-1,4-diene?
1-penta-1,4-dienylsulfonylpenta-1,4-diene has a molecular weight of 198.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,4-dienylsulfonylpenta-1,4-diene is sourced from PubChem (CID 173151693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).