(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol

C9H16O2S — CID 89351523

IUPAC(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCOSC1CC2CC1CC2CO
InChIInChI=1S/C9H16O2S/c1-11-12-9-4-6-2-7(9)3-8(6)5-10/h6-10H,2-5H2,1H3
InChIKeyGDBHHZYMMORROM-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.69
Rot. Bonds3

About (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol

(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol (PubChem CID 89351523) has the molecular formula C9H16O2S and a molecular weight of 188.29 g/mol. Its IUPAC name is (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol.

Molecular Properties

Compound Name(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
PubChem CID89351523
Molecular FormulaC9H16O2S
Molecular Weight188.29 g/mol
Exact Mass188.09
IUPAC Name(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol
SMILESCOSC1CC2CC1CC2CO
InChIInChI=1S/C9H16O2S/c1-11-12-9-4-6-2-7(9)3-8(6)5-10/h6-10H,2-5H2,1H3
InChIKeyGDBHHZYMMORROM-UHFFFAOYSA-N
XLogP1.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The IUPAC name of (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol (CID 89351523) is (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol.
What is the SMILES notation for (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The canonical SMILES for (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol is COSC1CC2CC1CC2CO.
What is the InChIKey of (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
The InChIKey is GDBHHZYMMORROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2S/c1-11-12-9-4-6-2-7(9)3-8(6)5-10/h6-10H,2-5H2,1H3.
What are the key properties of (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol?
(5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol has a molecular weight of 188.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxysulfanyl-2-bicyclo[2.2.1]heptanyl)methanol is sourced from PubChem (CID 89351523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).