6-penta-2,4-dien-2-ylsulfanylhex-2-ene

C11H18S — CID 123830595

IUPAC6-penta-2,4-dien-2-ylsulfanylhex-2-ene
SMILESC=CC=C(C)SCCCC=CC
InChIInChI=1S/C11H18S/c1-4-6-7-8-10-12-11(3)9-5-2/h4-6,9H,2,7-8,10H2,1,3H3
InChIKeyJFIHBIQVUOUTRV-UHFFFAOYSA-N
MW182.33 g/mol
LogP4.17
Rot. Bonds6

About 6-penta-2,4-dien-2-ylsulfanylhex-2-ene

6-penta-2,4-dien-2-ylsulfanylhex-2-ene (PubChem CID 123830595) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is 6-penta-2,4-dien-2-ylsulfanylhex-2-ene.

Molecular Properties

Compound Name6-penta-2,4-dien-2-ylsulfanylhex-2-ene
PubChem CID123830595
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name6-penta-2,4-dien-2-ylsulfanylhex-2-ene
SMILESC=CC=C(C)SCCCC=CC
InChIInChI=1S/C11H18S/c1-4-6-7-8-10-12-11(3)9-5-2/h4-6,9H,2,7-8,10H2,1,3H3
InChIKeyJFIHBIQVUOUTRV-UHFFFAOYSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Pentylthiapyran
CID 526620
2-Ethyl-5-methyl-2,5-dihydrothiophene
CID 12204283
2,6-ditert-butyl-2H-thiopyran
CID 12513623
(E)-1-methylsulfanylhept-2-ene
CID 13215828
(Z)-7-methylsulfanyl-hept-3-ene
CID 13527978
(E)-1-methylsulfanylhept-3-ene
CID 14024901
(E)-1-methylsulfanyloct-3-ene
CID 14024902
3-Ethylthio-3-hexene
CID 15905675
6-ethyl-2H-thiopyran
CID 19737637
1-Propenylpropylsulphide
CID 53869957
4-Ethylthiocyclopentadiene
CID 68403138
1-Butylsulfanylcyclopentene
CID 134985704

Frequently Asked Questions

What is the IUPAC name of 6-penta-2,4-dien-2-ylsulfanylhex-2-ene?
The IUPAC name of 6-penta-2,4-dien-2-ylsulfanylhex-2-ene (CID 123830595) is 6-penta-2,4-dien-2-ylsulfanylhex-2-ene.
What is the SMILES notation for 6-penta-2,4-dien-2-ylsulfanylhex-2-ene?
The canonical SMILES for 6-penta-2,4-dien-2-ylsulfanylhex-2-ene is C=CC=C(C)SCCCC=CC.
What is the InChIKey of 6-penta-2,4-dien-2-ylsulfanylhex-2-ene?
The InChIKey is JFIHBIQVUOUTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18S/c1-4-6-7-8-10-12-11(3)9-5-2/h4-6,9H,2,7-8,10H2,1,3H3.
What are the key properties of 6-penta-2,4-dien-2-ylsulfanylhex-2-ene?
6-penta-2,4-dien-2-ylsulfanylhex-2-ene has a molecular weight of 182.33 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-penta-2,4-dien-2-ylsulfanylhex-2-ene is sourced from PubChem (CID 123830595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).