12-methylsulfinyldodecan-1-ol

C13H28O2S — CID 23126762

IUPAC12-methylsulfinyldodecan-1-ol
SMILESCS(=O)CCCCCCCCCCCCO
InChIInChI=1S/C13H28O2S/c1-16(15)13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3
InChIKeyBHDHDQAZMOLUHP-UHFFFAOYSA-N
MW248.43 g/mol
LogP3.26
Rot. Bonds12

About 12-methylsulfinyldodecan-1-ol

12-methylsulfinyldodecan-1-ol (PubChem CID 23126762) has the molecular formula C13H28O2S and a molecular weight of 248.43 g/mol. Its IUPAC name is 12-methylsulfinyldodecan-1-ol.

Molecular Properties

Compound Name12-methylsulfinyldodecan-1-ol
PubChem CID23126762
Molecular FormulaC13H28O2S
Molecular Weight248.43 g/mol
Exact Mass248.18
IUPAC Name12-methylsulfinyldodecan-1-ol
SMILESCS(=O)CCCCCCCCCCCCO
InChIInChI=1S/C13H28O2S/c1-16(15)13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3
InChIKeyBHDHDQAZMOLUHP-UHFFFAOYSA-N
XLogP3.26
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.43
LogP ≤ 53.26
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-(Octylsulfinyl)ethanol
CID 151456
2-(Dodecylsulphinyl)ethanol
CID 88528
2-(Decylsulphinyl)ethanol
CID 81738
4-(Octylsulfinyl)butan-1-ol
CID 5302359
2-[(S)-octylsulfinyl]ethanol
CID 92471073
7-(Octylsulfanyl)heptan-1-ol
CID 42647611
N-Octyl-2-Hydroxyethyl Sulfoxide
CID 9543425
3-(Octylsulfinyl)propan-1-ol
CID 5302357
4-(Octylsulfonyl)butan-1-ol
CID 5302358
Octylsulfinylethanol
CID 23358608
1-(2-Hydroxydecylsulfinyl)decan-2-ol
CID 53471255
Decylsulfinylethanol
CID 87617224

Frequently Asked Questions

What is the IUPAC name of 12-methylsulfinyldodecan-1-ol?
The IUPAC name of 12-methylsulfinyldodecan-1-ol (CID 23126762) is 12-methylsulfinyldodecan-1-ol.
What is the SMILES notation for 12-methylsulfinyldodecan-1-ol?
The canonical SMILES for 12-methylsulfinyldodecan-1-ol is CS(=O)CCCCCCCCCCCCO.
What is the InChIKey of 12-methylsulfinyldodecan-1-ol?
The InChIKey is BHDHDQAZMOLUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O2S/c1-16(15)13-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3.
What are the key properties of 12-methylsulfinyldodecan-1-ol?
12-methylsulfinyldodecan-1-ol has a molecular weight of 248.43 g/mol, XLogP of 3.26, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-methylsulfinyldodecan-1-ol is sourced from PubChem (CID 23126762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).