3-dodecylsulfanyl-2-methylpropan-1-ol

C16H34OS — CID 66103592

IUPAC3-dodecylsulfanyl-2-methylpropan-1-ol
SMILESCCCCCCCCCCCCSCC(C)CO
InChIInChI=1S/C16H34OS/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-16(2)14-17/h16-17H,3-15H2,1-2H3
InChIKeyYKJALFNBKMHVQA-UHFFFAOYSA-N
MW274.51 g/mol
LogP5.27
Rot. Bonds14

About 3-dodecylsulfanyl-2-methylpropan-1-ol

3-dodecylsulfanyl-2-methylpropan-1-ol (PubChem CID 66103592) has the molecular formula C16H34OS and a molecular weight of 274.51 g/mol. Its IUPAC name is 3-dodecylsulfanyl-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-dodecylsulfanyl-2-methylpropan-1-ol
PubChem CID66103592
Molecular FormulaC16H34OS
Molecular Weight274.51 g/mol
Exact Mass274.23
IUPAC Name3-dodecylsulfanyl-2-methylpropan-1-ol
SMILESCCCCCCCCCCCCSCC(C)CO
InChIInChI=1S/C16H34OS/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-16(2)14-17/h16-17H,3-15H2,1-2H3
InChIKeyYKJALFNBKMHVQA-UHFFFAOYSA-N
XLogP5.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.51
LogP ≤ 55.27
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-methyl-3-octylsulfanylpropan-1-amine
CID 66225609
(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
CID 142755601
2,6-bis(dodecylsulfanylmethyl)nonan-1-ol
CID 91527384
ethyl 6-(3-hydroxy-2-methylpropyl)sulfanylhexanoate
CID 66105497
(2R,3S,4S,5R)-6-octylsulfanylhexane-1,2,3,4,5-pentol
CID 131846529
(2R,3S,4S,5R)-6-nonylsulfanylhexane-1,2,3,4,5-pentol
CID 22212789
(2S,3R,4R)-5-decylsulfanylpentane-1,2,3,4-tetrol
CID 175685092
1-(2-hexylsulfanylpropylsulfanyl)hexane
CID 4232997
2-ethoxy-3-hexadecylsulfanylpropan-1-ol
CID 14282492
(2S,3S,4S,5S)-1,6-bis(octylsulfanyl)hexane-2,3,4,5-tetrol
CID 11123044
1-[(2S)-2-[(2R)-1-hexylsulfanylpropan-2-yl]oxypropyl]sulfanylhexane
CID 27255783
(3-heptadecylsulfanyl-2-methylpropyl) dihydrogen phosphate
CID 88719844

Frequently Asked Questions

What is the IUPAC name of 3-dodecylsulfanyl-2-methylpropan-1-ol?
The IUPAC name of 3-dodecylsulfanyl-2-methylpropan-1-ol (CID 66103592) is 3-dodecylsulfanyl-2-methylpropan-1-ol.
What is the SMILES notation for 3-dodecylsulfanyl-2-methylpropan-1-ol?
The canonical SMILES for 3-dodecylsulfanyl-2-methylpropan-1-ol is CCCCCCCCCCCCSCC(C)CO.
What is the InChIKey of 3-dodecylsulfanyl-2-methylpropan-1-ol?
The InChIKey is YKJALFNBKMHVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34OS/c1-3-4-5-6-7-8-9-10-11-12-13-18-15-16(2)14-17/h16-17H,3-15H2,1-2H3.
What are the key properties of 3-dodecylsulfanyl-2-methylpropan-1-ol?
3-dodecylsulfanyl-2-methylpropan-1-ol has a molecular weight of 274.51 g/mol, XLogP of 5.27, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dodecylsulfanyl-2-methylpropan-1-ol is sourced from PubChem (CID 66103592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).