5-tert-butyl-3,4-dihydro-2H-pyran

C9H16O — CID 15271789

IUPAC5-tert-butyl-3,4-dihydro-2H-pyran
SMILESCC(C)(C)C1=COCCC1
InChIInChI=1S/C9H16O/c1-9(2,3)8-5-4-6-10-7-8/h7H,4-6H2,1-3H3
InChIKeyYAFOERLBXZNRFI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.73
Rot. Bonds

About 5-tert-butyl-3,4-dihydro-2H-pyran

5-tert-butyl-3,4-dihydro-2H-pyran (PubChem CID 15271789) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-tert-butyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-tert-butyl-3,4-dihydro-2H-pyran
PubChem CID15271789
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name5-tert-butyl-3,4-dihydro-2H-pyran
SMILESCC(C)(C)C1=COCCC1
InChIInChI=1S/C9H16O/c1-9(2,3)8-5-4-6-10-7-8/h7H,4-6H2,1-3H3
InChIKeyYAFOERLBXZNRFI-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,3,3,4,4,5-Heptamethylpyran
CID 20826706
3,5-diethyl-3,4-dihydro-2H-pyran
CID 23124404
5-propan-2-yl-3,4-dihydro-2H-pyran
CID 57717435
2-Methoxy-6,6-dimethylhept-1-ene
CID 58033973
2,3,3-Trimethyl-6-prop-1-en-2-yloxyhex-1-ene
CID 124147316
(5,5-Dimethyl-4-methylidenehexyl) hypochlorite
CID 130394409
3,3,4-triethyl-2H-furan
CID 140043392
ethane;5-propan-2-yl-3,4-dihydro-2H-pyran
CID 143052742
ethane;3-methyl-5-propan-2-yl-3,4-dihydro-2H-pyran
CID 144512941
2,3,3,5-Tetramethyl-2,4-dihydropyran
CID 174905628
2-Ethyl-3,3,5-trimethyl-2,4-dihydropyran
CID 174906269
3-(Cyclohexylidenemethoxymethyl)-3-methyloxepane
CID 176604640

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3,4-dihydro-2H-pyran?
The IUPAC name of 5-tert-butyl-3,4-dihydro-2H-pyran (CID 15271789) is 5-tert-butyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-tert-butyl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-tert-butyl-3,4-dihydro-2H-pyran is CC(C)(C)C1=COCCC1.
What is the InChIKey of 5-tert-butyl-3,4-dihydro-2H-pyran?
The InChIKey is YAFOERLBXZNRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-9(2,3)8-5-4-6-10-7-8/h7H,4-6H2,1-3H3.
What are the key properties of 5-tert-butyl-3,4-dihydro-2H-pyran?
5-tert-butyl-3,4-dihydro-2H-pyran has a molecular weight of 140.23 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 15271789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).