(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene

C16H28S — CID 155935613

IUPAC(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
SMILESC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CSC
InChIInChI=1S/C16H28S/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-17-5/h6,10,12H,7-9,11,13H2,1-5H3/b14-6+,15-10+,16-12+
InChIKeyBLENFPIEBPQFKU-VVZZWEIHSA-N
MW252.47 g/mol
LogP5.77
Rot. Bonds8

About (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene

(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene (PubChem CID 155935613) has the molecular formula C16H28S and a molecular weight of 252.47 g/mol. Its IUPAC name is (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene.

Molecular Properties

Compound Name(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
PubChem CID155935613
Molecular FormulaC16H28S
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Name(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene
SMILESC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CSC
InChIInChI=1S/C16H28S/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-17-5/h6,10,12H,7-9,11,13H2,1-5H3/b14-6+,15-10+,16-12+
InChIKeyBLENFPIEBPQFKU-VVZZWEIHSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.47
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene?
The IUPAC name of (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene (CID 155935613) is (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene.
What is the SMILES notation for (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene?
The canonical SMILES for (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene is C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CSC.
What is the InChIKey of (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene?
The InChIKey is BLENFPIEBPQFKU-VVZZWEIHSA-N. The full InChI is InChI=1S/C16H28S/c1-6-14(2)9-7-10-15(3)11-8-12-16(4)13-17-5/h6,10,12H,7-9,11,13H2,1-5H3/b14-6+,15-10+,16-12+.
What are the key properties of (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene?
(2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene has a molecular weight of 252.47 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,10E)-2,6,10-trimethyl-1-methylsulfanyldodeca-2,6,10-triene is sourced from PubChem (CID 155935613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).