6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene

C14H24S — CID 137484274

IUPAC6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene
SMILESC=C(C)C(C(=C)C)=C(C)C(C)CSCC
InChIInChI=1S/C14H24S/c1-8-15-9-12(6)13(7)14(10(2)3)11(4)5/h12H,2,4,8-9H2,1,3,5-7H3
InChIKeyUCWUWLSIZZMUSE-UHFFFAOYSA-N
MW224.41 g/mol
LogP4.84
Rot. Bonds6

About 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene

6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene (PubChem CID 137484274) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene.

Molecular Properties

Compound Name6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene
PubChem CID137484274
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene
SMILESC=C(C)C(C(=C)C)=C(C)C(C)CSCC
InChIInChI=1S/C14H24S/c1-8-15-9-12(6)13(7)14(10(2)3)11(4)5/h12H,2,4,8-9H2,1,3,5-7H3
InChIKeyUCWUWLSIZZMUSE-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.41
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene?
The IUPAC name of 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene (CID 137484274) is 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene.
What is the SMILES notation for 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene?
The canonical SMILES for 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene is C=C(C)C(C(=C)C)=C(C)C(C)CSCC.
What is the InChIKey of 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene?
The InChIKey is UCWUWLSIZZMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-8-15-9-12(6)13(7)14(10(2)3)11(4)5/h12H,2,4,8-9H2,1,3,5-7H3.
What are the key properties of 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene?
6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene has a molecular weight of 224.41 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-2,4,5-trimethyl-3-prop-1-en-2-ylhexa-1,3-diene is sourced from PubChem (CID 137484274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).