2-dodecylsulfanylprop-2-en-1-ol

C15H30OS — CID 11149597

IUPAC2-dodecylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCCCCCCCCCCC
InChIInChI=1S/C15H30OS/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h16H,2-14H2,1H3
InChIKeyYHKJQEVFEUUSFL-UHFFFAOYSA-N
MW258.47 g/mol
LogP5.15
Rot. Bonds13

About 2-dodecylsulfanylprop-2-en-1-ol

2-dodecylsulfanylprop-2-en-1-ol (PubChem CID 11149597) has the molecular formula C15H30OS and a molecular weight of 258.47 g/mol. Its IUPAC name is 2-dodecylsulfanylprop-2-en-1-ol.

Molecular Properties

Compound Name2-dodecylsulfanylprop-2-en-1-ol
PubChem CID11149597
Molecular FormulaC15H30OS
Molecular Weight258.47 g/mol
Exact Mass258.20
IUPAC Name2-dodecylsulfanylprop-2-en-1-ol
SMILESC=C(CO)SCCCCCCCCCCCC
InChIInChI=1S/C15H30OS/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h16H,2-14H2,1H3
InChIKeyYHKJQEVFEUUSFL-UHFFFAOYSA-N
XLogP5.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Hexadecylsulfanylmethyl)prop-2-en-1-ol
CID 11131289
(2E)-2-octylthiohex-2-en-4-yne-1,6-diol
CID 5762032
2-Pentylsulfanylprop-2-en-1-ol
CID 13331386
(Z)-3-pentylsulfanylprop-2-en-1-ol
CID 13331402
Cdhdjniwsxngbx-uhfffaoysa-
CID 13331408
(E)-3-octylsulfanylbut-2-en-1-ol
CID 19843655
2-Methylene-3-octadecylthiopropan-1-ol
CID 20462167
3-Octylsulfanylbut-2-en-1-ol
CID 53763022
3-Hexylthio-2-propenol
CID 54232710
3-Heptylsulfanyl-2-methylprop-1-en-1-ol
CID 59116658
(E)-4-octylsulfanylbut-2-en-1-ol
CID 59475652
4-Octylsulfanylbut-2-en-1-ol
CID 72302556

Frequently Asked Questions

What is the IUPAC name of 2-dodecylsulfanylprop-2-en-1-ol?
The IUPAC name of 2-dodecylsulfanylprop-2-en-1-ol (CID 11149597) is 2-dodecylsulfanylprop-2-en-1-ol.
What is the SMILES notation for 2-dodecylsulfanylprop-2-en-1-ol?
The canonical SMILES for 2-dodecylsulfanylprop-2-en-1-ol is C=C(CO)SCCCCCCCCCCCC.
What is the InChIKey of 2-dodecylsulfanylprop-2-en-1-ol?
The InChIKey is YHKJQEVFEUUSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30OS/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h16H,2-14H2,1H3.
What are the key properties of 2-dodecylsulfanylprop-2-en-1-ol?
2-dodecylsulfanylprop-2-en-1-ol has a molecular weight of 258.47 g/mol, XLogP of 5.15, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylsulfanylprop-2-en-1-ol is sourced from PubChem (CID 11149597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).