6-butyl-4,6-dimethyl-2,3-dihydropyran

C11H20O — CID 3017306

IUPAC6-butyl-4,6-dimethyl-2,3-dihydropyran
SMILESCCCCC1(C)C=C(C)CCO1
InChIInChI=1S/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3
InChIKeyUQKWXXUNZGHJMP-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.30
Rot. Bonds3

About 6-butyl-4,6-dimethyl-2,3-dihydropyran

6-butyl-4,6-dimethyl-2,3-dihydropyran (PubChem CID 3017306) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 6-butyl-4,6-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name6-butyl-4,6-dimethyl-2,3-dihydropyran
PubChem CID3017306
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name6-butyl-4,6-dimethyl-2,3-dihydropyran
SMILESCCCCC1(C)C=C(C)CCO1
InChIInChI=1S/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3
InChIKeyUQKWXXUNZGHJMP-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
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 6-butyl-4,6-dimethyl-2,3-dihydropyran?
The IUPAC name of 6-butyl-4,6-dimethyl-2,3-dihydropyran (CID 3017306) is 6-butyl-4,6-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 6-butyl-4,6-dimethyl-2,3-dihydropyran?
The canonical SMILES for 6-butyl-4,6-dimethyl-2,3-dihydropyran is CCCCC1(C)C=C(C)CCO1.
What is the InChIKey of 6-butyl-4,6-dimethyl-2,3-dihydropyran?
The InChIKey is UQKWXXUNZGHJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-5-7-11(3)9-10(2)6-8-12-11/h9H,4-8H2,1-3H3.
What are the key properties of 6-butyl-4,6-dimethyl-2,3-dihydropyran?
6-butyl-4,6-dimethyl-2,3-dihydropyran has a molecular weight of 168.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4,6-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 3017306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).