(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol

C15H28S — CID 166716483

IUPAC(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol
SMILESCCC(C)/C=C(/C)C(C)C(C)/C(C)=C(\C)S
InChIInChI=1S/C15H28S/c1-8-10(2)9-11(3)12(4)13(5)14(6)15(7)16/h9-10,12-13,16H,8H2,1-7H3/b11-9-,15-14+
InChIKeyMMGZEPFROZMAEN-DVRQTUGZSA-N
MW240.46 g/mol
LogP5.47
Rot. Bonds5

About (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol

(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol (PubChem CID 166716483) has the molecular formula C15H28S and a molecular weight of 240.46 g/mol. Its IUPAC name is (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol.

Molecular Properties

Compound Name(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol
PubChem CID166716483
Molecular FormulaC15H28S
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Name(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol
SMILESCCC(C)/C=C(/C)C(C)C(C)/C(C)=C(\C)S
InChIInChI=1S/C15H28S/c1-8-10(2)9-11(3)12(4)13(5)14(6)15(7)16/h9-10,12-13,16H,8H2,1-7H3/b11-9-,15-14+
InChIKeyMMGZEPFROZMAEN-DVRQTUGZSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.46
LogP ≤ 55.47
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol?
The IUPAC name of (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol (CID 166716483) is (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol.
What is the SMILES notation for (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol?
The canonical SMILES for (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol is CCC(C)/C=C(/C)C(C)C(C)/C(C)=C(\C)S.
What is the InChIKey of (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol?
The InChIKey is MMGZEPFROZMAEN-DVRQTUGZSA-N. The full InChI is InChI=1S/C15H28S/c1-8-10(2)9-11(3)12(4)13(5)14(6)15(7)16/h9-10,12-13,16H,8H2,1-7H3/b11-9-,15-14+.
What are the key properties of (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol?
(2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol has a molecular weight of 240.46 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6Z)-3,4,5,6,8-pentamethyldeca-2,6-diene-2-thiol is sourced from PubChem (CID 166716483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).