(E)-2,6,10-trimethylundec-1-ene-1-thiol

C14H28S — CID 25254254

IUPAC(E)-2,6,10-trimethylundec-1-ene-1-thiol
SMILESC/C(=C\S)CCCC(C)CCCC(C)C
InChIInChI=1S/C14H28S/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h11-13,15H,5-10H2,1-4H3/b14-11+
InChIKeyLHYPKSOHYKNKTQ-SDNWHVSQSA-N
MW228.44 g/mol
LogP5.45
Rot. Bonds8

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

(E)-2,6,10-trimethylundec-1-ene-1-thiol (PubChem CID 25254254) has the molecular formula C14H28S and a molecular weight of 228.44 g/mol. Its IUPAC name is (E)-2,6,10-trimethylundec-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-2,6,10-trimethylundec-1-ene-1-thiol
PubChem CID25254254
Molecular FormulaC14H28S
Molecular Weight228.44 g/mol
Exact Mass228.19
IUPAC Name(E)-2,6,10-trimethylundec-1-ene-1-thiol
SMILESC/C(=C\S)CCCC(C)CCCC(C)C
InChIInChI=1S/C14H28S/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h11-13,15H,5-10H2,1-4H3/b14-11+
InChIKeyLHYPKSOHYKNKTQ-SDNWHVSQSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.44
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6,10,14-tetramethylpentadec-1-ene-1-thiol
CID 25254401
(E,20R,24R)-2,6,10,16,20,24,28-heptamethylnonacos-15-en-14-ol
CID 174796441
(E)-3,7,11,15-tetramethyl(2,5,6,9,10,13,14-13C7)hexadec-2-en-1-ol
CID 10638184
(E,7S,11S)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905050
CID 160640482
CID 160640482
(E,7R,11R)-1-bromo-3,7,11,15-tetramethylhexadec-2-ene
CID 12905048
(Z,7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 14035235
(7R,11R)-3,7,11,15-tetramethylhexadec-2-enal
CID 54256190
(E)-3,7,11,15,20,24,28-heptamethylnonacos-2-en-1-ol
CID 174796442
propane;(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-ene;yttrium
CID 59410843
(E)-2,2,5,9,13-pentamethyltetradec-4-ene
CID 58883085
(E,7R,11R)-1-amino-3,7,11,15-tetramethylhexadec-2-en-1-ol
CID 174240836

Frequently Asked Questions

What is the IUPAC name of (E)-2,6,10-trimethylundec-1-ene-1-thiol?
The IUPAC name of (E)-2,6,10-trimethylundec-1-ene-1-thiol (CID 25254254) is (E)-2,6,10-trimethylundec-1-ene-1-thiol.
What is the SMILES notation for (E)-2,6,10-trimethylundec-1-ene-1-thiol?
The canonical SMILES for (E)-2,6,10-trimethylundec-1-ene-1-thiol is C/C(=C\S)CCCC(C)CCCC(C)C.
What is the InChIKey of (E)-2,6,10-trimethylundec-1-ene-1-thiol?
The InChIKey is LHYPKSOHYKNKTQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C14H28S/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15/h11-13,15H,5-10H2,1-4H3/b14-11+.
What are the key properties of (E)-2,6,10-trimethylundec-1-ene-1-thiol?
(E)-2,6,10-trimethylundec-1-ene-1-thiol has a molecular weight of 228.44 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,6,10-trimethylundec-1-ene-1-thiol is sourced from PubChem (CID 25254254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).