2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran

C11H20O — CID 69341394

IUPAC2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCCC(C)C1CC(C)=C(C)CO1
InChIInChI=1S/C11H20O/c1-5-8(2)11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3
InChIKeyNNIBQILBXJCJSD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds2

About 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran

2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran (PubChem CID 69341394) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran
PubChem CID69341394
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran
SMILESCCC(C)C1CC(C)=C(C)CO1
InChIInChI=1S/C11H20O/c1-5-8(2)11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3
InChIKeyNNIBQILBXJCJSD-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The IUPAC name of 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran (CID 69341394) is 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran is CCC(C)C1CC(C)=C(C)CO1.
What is the InChIKey of 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran?
The InChIKey is NNIBQILBXJCJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-5-8(2)11-6-9(3)10(4)7-12-11/h8,11H,5-7H2,1-4H3.
What are the key properties of 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran?
2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4,5-dimethyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 69341394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).