1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol

C14H26OS2 — CID 88789774

IUPAC1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol
SMILESCCCCCCC(O)C=CCC1SCC(C)S1
InChIInChI=1S/C14H26OS2/c1-3-4-5-6-8-13(15)9-7-10-14-16-11-12(2)17-14/h7,9,12-15H,3-6,8,10-11H2,1-2H3
InChIKeyMPOGPVDONKIGQT-UHFFFAOYSA-N
MW274.49 g/mol
LogP4.46
Rot. Bonds8

About 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol

1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol (PubChem CID 88789774) has the molecular formula C14H26OS2 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol
PubChem CID88789774
Molecular FormulaC14H26OS2
Molecular Weight274.49 g/mol
Exact Mass274.14
IUPAC Name1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol
SMILESCCCCCCC(O)C=CCC1SCC(C)S1
InChIInChI=1S/C14H26OS2/c1-3-4-5-6-8-13(15)9-7-10-14-16-11-12(2)17-14/h7,9,12-15H,3-6,8,10-11H2,1-2H3
InChIKeyMPOGPVDONKIGQT-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol?
The IUPAC name of 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol (CID 88789774) is 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol.
What is the SMILES notation for 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol?
The canonical SMILES for 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol is CCCCCCC(O)C=CCC1SCC(C)S1.
What is the InChIKey of 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol?
The InChIKey is MPOGPVDONKIGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26OS2/c1-3-4-5-6-8-13(15)9-7-10-14-16-11-12(2)17-14/h7,9,12-15H,3-6,8,10-11H2,1-2H3.
What are the key properties of 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol?
1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol has a molecular weight of 274.49 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-dithiolan-2-yl)dec-2-en-4-ol is sourced from PubChem (CID 88789774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).