(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol

C25H52OS — CID 142755601

IUPAC(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
SMILESCCCCCCCCCCCCSC[C@@H](CO)CCCCCCCCCC
InChIInChI=1S/C25H52OS/c1-3-5-7-9-11-13-14-16-18-20-22-27-24-25(23-26)21-19-17-15-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m1/s1
InChIKeySRMPIKINMYRWQQ-RUZDIDTESA-N
MW400.76 g/mol
LogP8.78
Rot. Bonds23

About (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol

(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol (PubChem CID 142755601) has the molecular formula C25H52OS and a molecular weight of 400.76 g/mol. Its IUPAC name is (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol.

Molecular Properties

Compound Name(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
PubChem CID142755601
Molecular FormulaC25H52OS
Molecular Weight400.76 g/mol
Exact Mass400.37
IUPAC Name(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol
SMILESCCCCCCCCCCCCSC[C@@H](CO)CCCCCCCCCC
InChIInChI=1S/C25H52OS/c1-3-5-7-9-11-13-14-16-18-20-22-27-24-25(23-26)21-19-17-15-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m1/s1
InChIKeySRMPIKINMYRWQQ-RUZDIDTESA-N
XLogP8.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.76
LogP ≤ 58.78
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

2,6-bis(dodecylsulfanylmethyl)nonan-1-ol
CID 91527384
2-tridecylheptadecan-1-ol
CID 22598247
(2S)-2-hexyldodecan-1-ol
CID 73416467
2-pentyldodecan-1-ol
CID 23125768
2-hexyloctan-1-ol;2-pentylheptan-1-ol
CID 175595463
2-pentyltridecan-1-ol
CID 19896300
2-nonylundecan-1-ol
CID 14397092
2-pentadecylpropane-1,3-diol
CID 91351654
2-butyloctan-1-ol;2-undecylpentadecan-1-ol
CID 160770857
ethanol;2-heptylnonan-1-ol
CID 122482877
3-dodecylsulfanyl-2-methylpropan-1-ol
CID 66103592
(2S)-2-propyldecan-1-ol
CID 10176571

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol?
The IUPAC name of (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol (CID 142755601) is (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol.
What is the SMILES notation for (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol?
The canonical SMILES for (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol is CCCCCCCCCCCCSC[C@@H](CO)CCCCCCCCCC.
What is the InChIKey of (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol?
The InChIKey is SRMPIKINMYRWQQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H52OS/c1-3-5-7-9-11-13-14-16-18-20-22-27-24-25(23-26)21-19-17-15-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3/t25-/m1/s1.
What are the key properties of (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol?
(2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol has a molecular weight of 400.76 g/mol, XLogP of 8.78, 23 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dodecylsulfanylmethyl)dodecan-1-ol is sourced from PubChem (CID 142755601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).