4-methoxy-1-(thian-2-yl)butan-1-ol

C10H20O2S — CID 114854963

IUPAC4-methoxy-1-(thian-2-yl)butan-1-ol
SMILESCOCCCC(O)C1CCCCS1
InChIInChI=1S/C10H20O2S/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h9-11H,2-8H2,1H3
InChIKeyHSCFEIFYFSMFNY-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.06
Rot. Bonds5

About 4-methoxy-1-(thian-2-yl)butan-1-ol

4-methoxy-1-(thian-2-yl)butan-1-ol (PubChem CID 114854963) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is 4-methoxy-1-(thian-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-1-(thian-2-yl)butan-1-ol
PubChem CID114854963
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name4-methoxy-1-(thian-2-yl)butan-1-ol
SMILESCOCCCC(O)C1CCCCS1
InChIInChI=1S/C10H20O2S/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h9-11H,2-8H2,1H3
InChIKeyHSCFEIFYFSMFNY-UHFFFAOYSA-N
XLogP2.06
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.06
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 4-methoxy-1-(thian-2-yl)butan-1-ol?
The IUPAC name of 4-methoxy-1-(thian-2-yl)butan-1-ol (CID 114854963) is 4-methoxy-1-(thian-2-yl)butan-1-ol.
What is the SMILES notation for 4-methoxy-1-(thian-2-yl)butan-1-ol?
The canonical SMILES for 4-methoxy-1-(thian-2-yl)butan-1-ol is COCCCC(O)C1CCCCS1.
What is the InChIKey of 4-methoxy-1-(thian-2-yl)butan-1-ol?
The InChIKey is HSCFEIFYFSMFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2S/c1-12-7-4-5-9(11)10-6-2-3-8-13-10/h9-11H,2-8H2,1H3.
What are the key properties of 4-methoxy-1-(thian-2-yl)butan-1-ol?
4-methoxy-1-(thian-2-yl)butan-1-ol has a molecular weight of 204.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(thian-2-yl)butan-1-ol is sourced from PubChem (CID 114854963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).