9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane

C10H17BrOS — CID 79920772

IUPAC9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane
SMILESBrCCC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H17BrOS/c11-4-1-9-2-5-12-10(7-9)3-6-13-8-10/h9H,1-8H2
InChIKeyYAMPJZUMQVIDPF-UHFFFAOYSA-N
MW265.22 g/mol
LogP3.07
Rot. Bonds2

About 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane

9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane (PubChem CID 79920772) has the molecular formula C10H17BrOS and a molecular weight of 265.22 g/mol. Its IUPAC name is 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane
PubChem CID79920772
Molecular FormulaC10H17BrOS
Molecular Weight265.22 g/mol
Exact Mass264.02
IUPAC Name9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane
SMILESBrCCC1CCOC2(CCSC2)C1
InChIInChI=1S/C10H17BrOS/c11-4-1-9-2-5-12-10(7-9)3-6-13-8-10/h9H,1-8H2
InChIKeyYAMPJZUMQVIDPF-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane?
The IUPAC name of 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane (CID 79920772) is 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane.
What is the SMILES notation for 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane?
The canonical SMILES for 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane is BrCCC1CCOC2(CCSC2)C1.
What is the InChIKey of 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane?
The InChIKey is YAMPJZUMQVIDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrOS/c11-4-1-9-2-5-12-10(7-9)3-6-13-8-10/h9H,1-8H2.
What are the key properties of 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane?
9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane has a molecular weight of 265.22 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-bromoethyl)-6-oxa-2-thiaspiro[4.5]decane is sourced from PubChem (CID 79920772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).