4-tert-butyl-3-propan-2-yl-2H-pyran

C12H20O — CID 58233724

IUPAC4-tert-butyl-3-propan-2-yl-2H-pyran
SMILESCC(C)C1=C(C(C)(C)C)C=COC1
InChIInChI=1S/C12H20O/c1-9(2)10-8-13-7-6-11(10)12(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeySDVZRUFBZYKOOS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.53
Rot. Bonds1

About 4-tert-butyl-3-propan-2-yl-2H-pyran

4-tert-butyl-3-propan-2-yl-2H-pyran (PubChem CID 58233724) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-tert-butyl-3-propan-2-yl-2H-pyran.

Molecular Properties

Compound Name4-tert-butyl-3-propan-2-yl-2H-pyran
PubChem CID58233724
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name4-tert-butyl-3-propan-2-yl-2H-pyran
SMILESCC(C)C1=C(C(C)(C)C)C=COC1
InChIInChI=1S/C12H20O/c1-9(2)10-8-13-7-6-11(10)12(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeySDVZRUFBZYKOOS-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-propan-2-yl-2H-pyran?
The IUPAC name of 4-tert-butyl-3-propan-2-yl-2H-pyran (CID 58233724) is 4-tert-butyl-3-propan-2-yl-2H-pyran.
What is the SMILES notation for 4-tert-butyl-3-propan-2-yl-2H-pyran?
The canonical SMILES for 4-tert-butyl-3-propan-2-yl-2H-pyran is CC(C)C1=C(C(C)(C)C)C=COC1.
What is the InChIKey of 4-tert-butyl-3-propan-2-yl-2H-pyran?
The InChIKey is SDVZRUFBZYKOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-9(2)10-8-13-7-6-11(10)12(3,4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 4-tert-butyl-3-propan-2-yl-2H-pyran?
4-tert-butyl-3-propan-2-yl-2H-pyran has a molecular weight of 180.29 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-propan-2-yl-2H-pyran is sourced from PubChem (CID 58233724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).