2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol

C11H22O5S — CID 66024520

IUPAC2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol
SMILESCOCCOCCC(CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22O5S/c1-15-5-6-16-4-2-10(8-12)11-3-7-17(13,14)9-11/h10-12H,2-9H2,1H3
InChIKeyUDZHXAMSRQTXMN-UHFFFAOYSA-N
MW266.36 g/mol
LogP0.08
Rot. Bonds8

About 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol

2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol (PubChem CID 66024520) has the molecular formula C11H22O5S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol
PubChem CID66024520
Molecular FormulaC11H22O5S
Molecular Weight266.36 g/mol
Exact Mass266.12
IUPAC Name2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol
SMILESCOCCOCCC(CO)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H22O5S/c1-15-5-6-16-4-2-10(8-12)11-3-7-17(13,14)9-11/h10-12H,2-9H2,1H3
InChIKeyUDZHXAMSRQTXMN-UHFFFAOYSA-N
XLogP0.08
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol (CID 66024520) is 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol is COCCOCCC(CO)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol?
The InChIKey is UDZHXAMSRQTXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5S/c1-15-5-6-16-4-2-10(8-12)11-3-7-17(13,14)9-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol?
2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 0.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-4-(2-methoxyethoxy)butan-1-ol is sourced from PubChem (CID 66024520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).