3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran

C11H20O — CID 58987606

IUPAC3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC(C)C1=CCC(C(C)C)CO1
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-11(9(3)4)12-7-10/h6,8-10H,5,7H2,1-4H3
InChIKeyRFTMZTYDULFLDU-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.22
Rot. Bonds2

About 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran

3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran (PubChem CID 58987606) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran
PubChem CID58987606
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran
SMILESCC(C)C1=CCC(C(C)C)CO1
InChIInChI=1S/C11H20O/c1-8(2)10-5-6-11(9(3)4)12-7-10/h6,8-10H,5,7H2,1-4H3
InChIKeyRFTMZTYDULFLDU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The IUPAC name of 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran (CID 58987606) is 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran is CC(C)C1=CCC(C(C)C)CO1.
What is the InChIKey of 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran?
The InChIKey is RFTMZTYDULFLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8(2)10-5-6-11(9(3)4)12-7-10/h6,8-10H,5,7H2,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran?
3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran has a molecular weight of 168.28 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 58987606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).