(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol

C15H28S — CID 89261408

IUPAC(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol
SMILESC/C=C\C/C=C\C(C)(CC)CC(C)(C)CS
InChIInChI=1S/C15H28S/c1-6-8-9-10-11-15(5,7-2)12-14(3,4)13-16/h6,8,10-11,16H,7,9,12-13H2,1-5H3/b8-6-,11-10-
InChIKeyKJRUJZVGFSQSDK-CAVDHDHCSA-N
MW240.46 g/mol
LogP5.27
Rot. Bonds7

About (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol

(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol (PubChem CID 89261408) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol.

Molecular Properties

Compound Name(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol
PubChem CID89261408
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol
SMILESC/C=C\C/C=C\C(C)(CC)CC(C)(C)CS
InChIInChI=1S/C15H28S/c1-6-8-9-10-11-15(5,7-2)12-14(3,4)13-16/h6,8,10-11,16H,7,9,12-13H2,1-5H3/b8-6-,11-10-
InChIKeyKJRUJZVGFSQSDK-CAVDHDHCSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol with MolForge

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Related Compounds

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CID 13537624
2-Cyclohexene-1-methanethiol, 2,6,6-trimethyl-
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CID 3085622
(6E)-3,7,11-trimethyldodeca-6,10-diene-1-thiol
CID 171109145
3,3-Dimethyl-1-heptene-4-thiol
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CID 162420446
(E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 21388154
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-ene-1-thiol
CID 21388156
4-Cyclopentylbut-3-ene-1-thiol
CID 53664353
4-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-3-ene-2-thiol
CID 53674266
2-(1-Methylcyclohex-3-en-1-yl)propane-2-thiol
CID 53981569
1-(2,6,6-Trimethylcyclohex-2-en-1-yl)but-2-ene-1-thiol
CID 54430645

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol?
The IUPAC name of (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol (CID 89261408) is (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol.
What is the SMILES notation for (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol?
The canonical SMILES for (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol is C/C=C\C/C=C\C(C)(CC)CC(C)(C)CS.
What is the InChIKey of (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol?
The InChIKey is KJRUJZVGFSQSDK-CAVDHDHCSA-N. The full InChI is InChI=1S/C15H28S/c1-6-8-9-10-11-15(5,7-2)12-14(3,4)13-16/h6,8,10-11,16H,7,9,12-13H2,1-5H3/b8-6-,11-10-.
What are the key properties of (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol?
(5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol has a molecular weight of 240.46 g/mol, XLogP of 5.27, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z)-4-ethyl-2,2,4-trimethyldeca-5,8-diene-1-thiol is sourced from PubChem (CID 89261408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).