(2R)-6-butylsulfanyl-2-methyl-2H-pyran

C10H16OS — CID 175799438

IUPAC(2R)-6-butylsulfanyl-2-methyl-2H-pyran
SMILESCCCCSC1=CC=C[C@@H](C)O1
InChIInChI=1S/C10H16OS/c1-3-4-8-12-10-7-5-6-9(2)11-10/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyWBHRUIRYLRNMKF-SECBINFHSA-N
MW184.30 g/mol
LogP3.34
Rot. Bonds4

About (2R)-6-butylsulfanyl-2-methyl-2H-pyran

(2R)-6-butylsulfanyl-2-methyl-2H-pyran (PubChem CID 175799438) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is (2R)-6-butylsulfanyl-2-methyl-2H-pyran.

Molecular Properties

Compound Name(2R)-6-butylsulfanyl-2-methyl-2H-pyran
PubChem CID175799438
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name(2R)-6-butylsulfanyl-2-methyl-2H-pyran
SMILESCCCCSC1=CC=C[C@@H](C)O1
InChIInChI=1S/C10H16OS/c1-3-4-8-12-10-7-5-6-9(2)11-10/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1
InChIKeyWBHRUIRYLRNMKF-SECBINFHSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2R)-6-butylsulfanyl-2-methyl-2H-pyran?
The IUPAC name of (2R)-6-butylsulfanyl-2-methyl-2H-pyran (CID 175799438) is (2R)-6-butylsulfanyl-2-methyl-2H-pyran.
What is the SMILES notation for (2R)-6-butylsulfanyl-2-methyl-2H-pyran?
The canonical SMILES for (2R)-6-butylsulfanyl-2-methyl-2H-pyran is CCCCSC1=CC=C[C@@H](C)O1.
What is the InChIKey of (2R)-6-butylsulfanyl-2-methyl-2H-pyran?
The InChIKey is WBHRUIRYLRNMKF-SECBINFHSA-N. The full InChI is InChI=1S/C10H16OS/c1-3-4-8-12-10-7-5-6-9(2)11-10/h5-7,9H,3-4,8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-6-butylsulfanyl-2-methyl-2H-pyran?
(2R)-6-butylsulfanyl-2-methyl-2H-pyran has a molecular weight of 184.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-butylsulfanyl-2-methyl-2H-pyran is sourced from PubChem (CID 175799438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).