3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide

C15H24O2S — CID 71337813

IUPAC3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESCC(C)=CCCC(C)=CCCC1=CCS(=O)(=O)C1
InChIInChI=1S/C15H24O2S/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-18(16,17)12-15/h6,8,10H,4-5,7,9,11-12H2,1-3H3
InChIKeyKYZTYNDZROBZOQ-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.81
Rot. Bonds6

About 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide

3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide (PubChem CID 71337813) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide
PubChem CID71337813
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide
SMILESCC(C)=CCCC(C)=CCCC1=CCS(=O)(=O)C1
InChIInChI=1S/C15H24O2S/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-18(16,17)12-15/h6,8,10H,4-5,7,9,11-12H2,1-3H3
InChIKeyKYZTYNDZROBZOQ-UHFFFAOYSA-N
XLogP3.81
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide?
The IUPAC name of 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide (CID 71337813) is 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide is CC(C)=CCCC(C)=CCCC1=CCS(=O)(=O)C1.
What is the InChIKey of 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide?
The InChIKey is KYZTYNDZROBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-13(2)6-4-7-14(3)8-5-9-15-10-11-18(16,17)12-15/h6,8,10H,4-5,7,9,11-12H2,1-3H3.
What are the key properties of 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide?
3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide has a molecular weight of 268.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,8-dimethylnona-3,7-dienyl)-2,5-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 71337813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).