1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene

C10H12Cl2O2S — CID 154431203

IUPAC1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
SMILESC=C(C)C=C(Cl)S(=O)(=O)C(Cl)=CC(=C)C
InChIInChI=1S/C10H12Cl2O2S/c1-7(2)5-9(11)15(13,14)10(12)6-8(3)4/h5-6H,1,3H2,2,4H3
InChIKeyHDYGZSRBTIXFQY-UHFFFAOYSA-N
MW267.18 g/mol
LogP3.71
Rot. Bonds4

About 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene

1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene (PubChem CID 154431203) has the molecular formula C10H12Cl2O2S and a molecular weight of 267.18 g/mol. Its IUPAC name is 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene.

Molecular Properties

Compound Name1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
PubChem CID154431203
Molecular FormulaC10H12Cl2O2S
Molecular Weight267.18 g/mol
Exact Mass265.99
IUPAC Name1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene
SMILESC=C(C)C=C(Cl)S(=O)(=O)C(Cl)=CC(=C)C
InChIInChI=1S/C10H12Cl2O2S/c1-7(2)5-9(11)15(13,14)10(12)6-8(3)4/h5-6H,1,3H2,2,4H3
InChIKeyHDYGZSRBTIXFQY-UHFFFAOYSA-N
XLogP3.71
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.18
LogP ≤ 53.71
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

(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
(3E)-3-chloro-N,5-dimethylhexa-3,5-dien-2-imine
CID 156715493
(3E)-3-chloro-2,5-dimethylhexa-1,3,5-triene;ethane
CID 142945518
(2E,4Z)-6-chloro-N,N,5-trimethylhepta-2,4,6-triene-3-sulfonamide
CID 144809276
2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
4-chloro-3,6-dimethylideneoct-4-ene-2,7-dione
CID 123443790
2-(2-methylprop-2-enylidene)propanedioic acid
CID 87996037
ethenesulfonic acid;2-methylbuta-1,3-diene
CID 162209988
2-methyl(113C)prop-2-enal
CID 71749931
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
4-fluoro-2-methylpenta-1,3-diene
CID 91548369

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene?
The IUPAC name of 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene (CID 154431203) is 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene.
What is the SMILES notation for 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene?
The canonical SMILES for 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene is C=C(C)C=C(Cl)S(=O)(=O)C(Cl)=CC(=C)C.
What is the InChIKey of 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene?
The InChIKey is HDYGZSRBTIXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O2S/c1-7(2)5-9(11)15(13,14)10(12)6-8(3)4/h5-6H,1,3H2,2,4H3.
What are the key properties of 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene?
1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene has a molecular weight of 267.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-(1-chloro-3-methylbuta-1,3-dienyl)sulfonyl-3-methylbuta-1,3-diene is sourced from PubChem (CID 154431203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).