(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol

C19H38S — CID 25254401

IUPAC(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
SMILESC/C(=C\S)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C19H38S/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18,20H,6-14H2,1-5H3/b19-15+
InChIKeyGOKHUHQHBHFJSV-XDJHFCHBSA-N
MW298.58 g/mol
LogP7.26
Rot. Bonds12

About (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol

(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol (PubChem CID 25254401) has the molecular formula C19H38S and a molecular weight of 298.58 g/mol. Its IUPAC name is (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
PubChem CID25254401
Molecular FormulaC19H38S
Molecular Weight298.58 g/mol
Exact Mass298.27
IUPAC Name(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
SMILESC/C(=C\S)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C19H38S/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18,20H,6-14H2,1-5H3/b19-15+
InChIKeyGOKHUHQHBHFJSV-XDJHFCHBSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.58
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol?
The IUPAC name of (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol (CID 25254401) is (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol.
What is the SMILES notation for (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol?
The canonical SMILES for (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol is C/C(=C\S)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol?
The InChIKey is GOKHUHQHBHFJSV-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H38S/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20/h15-18,20H,6-14H2,1-5H3/b19-15+.
What are the key properties of (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol?
(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol has a molecular weight of 298.58 g/mol, XLogP of 7.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol is sourced from PubChem (CID 25254401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).