4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran

C11H20O — CID 23154689

IUPAC4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran
SMILESCCCCC1=CCOC(C)C1C
InChIInChI=1S/C11H20O/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRPWJTQAMFOSVEB-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran

4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 23154689) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran
PubChem CID23154689
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran
SMILESCCCCC1=CCOC(C)C1C
InChIInChI=1S/C11H20O/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7,9-10H,4-6,8H2,1-3H3
InChIKeyRPWJTQAMFOSVEB-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran (CID 23154689) is 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran is CCCCC1=CCOC(C)C1C.
What is the InChIKey of 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is RPWJTQAMFOSVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-6-11-7-8-12-10(3)9(11)2/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran?
4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2,3-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 23154689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).