5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene

C20H34S2 — CID 123439286

IUPAC5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene
SMILESCC=C(SCC)C(C)CC=C(CC(CC)CC)C1=CCCS1
InChIInChI=1S/C20H34S2/c1-6-17(7-2)15-18(20-11-10-14-22-20)13-12-16(5)19(8-3)21-9-4/h8,11,13,16-17H,6-7,9-10,12,14-15H2,1-5H3
InChIKeyZCYVHBFIRVTAGU-UHFFFAOYSA-N
MW338.63 g/mol
LogP7.44
Rot. Bonds10

About 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene

5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene (PubChem CID 123439286) has the molecular formula C20H34S2 and a molecular weight of 338.63 g/mol. Its IUPAC name is 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene.

Molecular Properties

Compound Name5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene
PubChem CID123439286
Molecular FormulaC20H34S2
Molecular Weight338.63 g/mol
Exact Mass338.21
IUPAC Name5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene
SMILESCC=C(SCC)C(C)CC=C(CC(CC)CC)C1=CCCS1
InChIInChI=1S/C20H34S2/c1-6-17(7-2)15-18(20-11-10-14-22-20)13-12-16(5)19(8-3)21-9-4/h8,11,13,16-17H,6-7,9-10,12,14-15H2,1-5H3
InChIKeyZCYVHBFIRVTAGU-UHFFFAOYSA-N
XLogP7.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 58758083
5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylcyclopenta-1,3-diene
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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene?
The IUPAC name of 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene (CID 123439286) is 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene.
What is the SMILES notation for 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene?
The canonical SMILES for 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene is CC=C(SCC)C(C)CC=C(CC(CC)CC)C1=CCCS1.
What is the InChIKey of 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene?
The InChIKey is ZCYVHBFIRVTAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34S2/c1-6-17(7-2)15-18(20-11-10-14-22-20)13-12-16(5)19(8-3)21-9-4/h8,11,13,16-17H,6-7,9-10,12,14-15H2,1-5H3.
What are the key properties of 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene?
5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene has a molecular weight of 338.63 g/mol, XLogP of 7.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-9-ethylsulfanyl-8-methylundeca-5,9-dien-5-yl)-2,3-dihydrothiophene is sourced from PubChem (CID 123439286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).