5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol

C10H20OS — CID 11355943

IUPAC5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol
SMILESCC(CCO)CCC1SC1(C)C
InChIInChI=1S/C10H20OS/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyLGLDDBWUGVQRPK-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.68
Rot. Bonds5

About 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol

5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol (PubChem CID 11355943) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol
PubChem CID11355943
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol
SMILESCC(CCO)CCC1SC1(C)C
InChIInChI=1S/C10H20OS/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3
InChIKeyLGLDDBWUGVQRPK-UHFFFAOYSA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol (CID 11355943) is 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol is CC(CCO)CCC1SC1(C)C.
What is the InChIKey of 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol?
The InChIKey is LGLDDBWUGVQRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(6-7-11)4-5-9-10(2,3)12-9/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol?
5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylthiiran-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 11355943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).