5-(oxolan-2-yl)-2H-pyran

C9H12O2 — CID 18407563

IUPAC5-(oxolan-2-yl)-2H-pyran
SMILESC1=CC(C2CCCO2)=COC1
InChIInChI=1S/C9H12O2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,7,9H,2,4-6H2
InChIKeyTTYDIBSAYRITPC-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.64
Rot. Bonds1

About 5-(oxolan-2-yl)-2H-pyran

5-(oxolan-2-yl)-2H-pyran (PubChem CID 18407563) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-2H-pyran.

Molecular Properties

Compound Name5-(oxolan-2-yl)-2H-pyran
PubChem CID18407563
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-(oxolan-2-yl)-2H-pyran
SMILESC1=CC(C2CCCO2)=COC1
InChIInChI=1S/C9H12O2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,7,9H,2,4-6H2
InChIKeyTTYDIBSAYRITPC-UHFFFAOYSA-N
XLogP1.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-Oxabicyclo(2.2.1)hept-2-ene, 5,6-bis(methylene)-
CID 143374
7-Tetrahydrobenzofuran
CID 17799099
1,2,3,4,4a,5a,6,7-Octahydrodibenzofuran
CID 57346130
Hexahydrodibenzofuran
CID 66608734
Oxabicyclo[3.2.1]octadiene
CID 68853780
Tetrahydronaphthofuran
CID 88795225
7-Fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
CID 134238646
5-Fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417397
2-Fluoro-2,3,4,5-tetrahydro-1-benzofuran
CID 140534070
13-Decahydrocyclododeca[b]furan
CID 129664862
4-(methoxymethylidene)-2-[(E)-prop-1-enyl]-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyran
CID 135037135
(1R,5S)-4-methylidene-8-oxabicyclo[3.2.1]oct-2-ene
CID 135038181

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-2H-pyran?
The IUPAC name of 5-(oxolan-2-yl)-2H-pyran (CID 18407563) is 5-(oxolan-2-yl)-2H-pyran.
What is the SMILES notation for 5-(oxolan-2-yl)-2H-pyran?
The canonical SMILES for 5-(oxolan-2-yl)-2H-pyran is C1=CC(C2CCCO2)=COC1.
What is the InChIKey of 5-(oxolan-2-yl)-2H-pyran?
The InChIKey is TTYDIBSAYRITPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,7,9H,2,4-6H2.
What are the key properties of 5-(oxolan-2-yl)-2H-pyran?
5-(oxolan-2-yl)-2H-pyran has a molecular weight of 152.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-2H-pyran is sourced from PubChem (CID 18407563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).