11-methylsulfanylundecan-1-ol

C12H26OS — CID 12856443

IUPAC11-methylsulfanylundecan-1-ol
SMILESCSCCCCCCCCCCCO
InChIInChI=1S/C12H26OS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h13H,2-12H2,1H3
InChIKeyCWSAKFURUOPBSP-UHFFFAOYSA-N
MW218.41 g/mol
LogP3.85
Rot. Bonds11

About 11-methylsulfanylundecan-1-ol

11-methylsulfanylundecan-1-ol (PubChem CID 12856443) has the molecular formula C12H26OS and a molecular weight of 218.41 g/mol. Its IUPAC name is 11-methylsulfanylundecan-1-ol.

Molecular Properties

Compound Name11-methylsulfanylundecan-1-ol
PubChem CID12856443
Molecular FormulaC12H26OS
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name11-methylsulfanylundecan-1-ol
SMILESCSCCCCCCCCCCCO
InChIInChI=1S/C12H26OS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h13H,2-12H2,1H3
InChIKeyCWSAKFURUOPBSP-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.85
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

3-(Methylthio)-1-hexanol
CID 65413
8-Mercapto-1-octanol
CID 11041028
11-Mercaptoundecanol
CID 261824
9-Mercapto-1-nonanol
CID 46201499
1-Hexanol, 3-(methylthio)-, (S)-
CID 6951715
12-Sulfanyldodecan-1-ol
CID 15274183
3-Mercaptooctanol
CID 6430897
1-(Butylsulfanyl)octan-2-ol
CID 138376823
4-Mercapto-1-octanol
CID 117910869
7-(Octylsulfanyl)heptan-1-ol
CID 42647611
1-Hexanol, 6-(methylthio)-
CID 4126612
Thiododecyl alcohol
CID 10376107

Frequently Asked Questions

What is the IUPAC name of 11-methylsulfanylundecan-1-ol?
The IUPAC name of 11-methylsulfanylundecan-1-ol (CID 12856443) is 11-methylsulfanylundecan-1-ol.
What is the SMILES notation for 11-methylsulfanylundecan-1-ol?
The canonical SMILES for 11-methylsulfanylundecan-1-ol is CSCCCCCCCCCCCO.
What is the InChIKey of 11-methylsulfanylundecan-1-ol?
The InChIKey is CWSAKFURUOPBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OS/c1-14-12-10-8-6-4-2-3-5-7-9-11-13/h13H,2-12H2,1H3.
What are the key properties of 11-methylsulfanylundecan-1-ol?
11-methylsulfanylundecan-1-ol has a molecular weight of 218.41 g/mol, XLogP of 3.85, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methylsulfanylundecan-1-ol is sourced from PubChem (CID 12856443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).