6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran

C12H22O — CID 130193916

IUPAC6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1=C(C(C)(C)C)OCCC1
InChIInChI=1S/C12H22O/c1-9(2)10-7-6-8-13-11(10)12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyZICNECOHTRHULJ-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds1

About 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran

6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 130193916) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID130193916
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran
SMILESCC(C)C1=C(C(C)(C)C)OCCC1
InChIInChI=1S/C12H22O/c1-9(2)10-7-6-8-13-11(10)12(3,4)5/h9H,6-8H2,1-5H3
InChIKeyZICNECOHTRHULJ-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-2-propan-2-yl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 59634369
ethane;1-methyl-2-propan-2-ylcyclopentene
CID 145236747
2-propan-2-yl-7,8-dihydro-6H-pyrano[3,2-d]pyrimidine
CID 153295615
6,7-ditert-butyl-4-methyl-2,3-dihydro-1,4-oxazepin-5-one
CID 23592127
N,2-di(propan-2-yl)-7,8-dihydro-6H-pyrano[3,2-d]pyrimidin-4-amine
CID 20626522
6-methyl-2-propan-2-yl-7-oxabicyclo[4.1.0]hept-1-ene
CID 175762827
ethane;2-methylideneoxolane
CID 90904497
3,4-ditert-butyl-2H-oxete
CID 176758268
7-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 118504510
tert-butyl (2E)-2-(oxolan-2-ylidene)acetate
CID 13430113
5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran
CID 166654809
(2-propan-2-ylcyclopenten-1-yl)methanethiol
CID 130248159

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran (CID 130193916) is 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran is CC(C)C1=C(C(C)(C)C)OCCC1.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is ZICNECOHTRHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-9(2)10-7-6-8-13-11(10)12(3,4)5/h9H,6-8H2,1-5H3.
What are the key properties of 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran?
6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 182.31 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 130193916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).