1-(1,1-dioxothian-2-yl)decan-1-ol

C15H30O3S — CID 115782853

IUPAC1-(1,1-dioxothian-2-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CCCCS1(=O)=O
InChIInChI=1S/C15H30O3S/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-19(15,17)18/h14-16H,2-13H2,1H3
InChIKeyRNIFAKFACNUEBF-UHFFFAOYSA-N
MW290.47 g/mol
LogP3.46
Rot. Bonds9

About 1-(1,1-dioxothian-2-yl)decan-1-ol

1-(1,1-dioxothian-2-yl)decan-1-ol (PubChem CID 115782853) has the molecular formula C15H30O3S and a molecular weight of 290.47 g/mol. Its IUPAC name is 1-(1,1-dioxothian-2-yl)decan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-2-yl)decan-1-ol
PubChem CID115782853
Molecular FormulaC15H30O3S
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name1-(1,1-dioxothian-2-yl)decan-1-ol
SMILESCCCCCCCCCC(O)C1CCCCS1(=O)=O
InChIInChI=1S/C15H30O3S/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-19(15,17)18/h14-16H,2-13H2,1H3
InChIKeyRNIFAKFACNUEBF-UHFFFAOYSA-N
XLogP3.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-2-yl)decan-1-ol?
The IUPAC name of 1-(1,1-dioxothian-2-yl)decan-1-ol (CID 115782853) is 1-(1,1-dioxothian-2-yl)decan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothian-2-yl)decan-1-ol?
The canonical SMILES for 1-(1,1-dioxothian-2-yl)decan-1-ol is CCCCCCCCCC(O)C1CCCCS1(=O)=O.
What is the InChIKey of 1-(1,1-dioxothian-2-yl)decan-1-ol?
The InChIKey is RNIFAKFACNUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3S/c1-2-3-4-5-6-7-8-11-14(16)15-12-9-10-13-19(15,17)18/h14-16H,2-13H2,1H3.
What are the key properties of 1-(1,1-dioxothian-2-yl)decan-1-ol?
1-(1,1-dioxothian-2-yl)decan-1-ol has a molecular weight of 290.47 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-2-yl)decan-1-ol is sourced from PubChem (CID 115782853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).