2-propyl-3-oxabicyclo[3.1.1]heptane

C9H16O — CID 153373872

IUPAC2-propyl-3-oxabicyclo[3.1.1]heptane
SMILESCCCC1OCC2CC1C2
InChIInChI=1S/C9H16O/c1-2-3-9-8-4-7(5-8)6-10-9/h7-9H,2-6H2,1H3
InChIKeyDLSGNFZNOGOXKR-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.21
Rot. Bonds2

About 2-propyl-3-oxabicyclo[3.1.1]heptane

2-propyl-3-oxabicyclo[3.1.1]heptane (PubChem CID 153373872) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-propyl-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name2-propyl-3-oxabicyclo[3.1.1]heptane
PubChem CID153373872
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2-propyl-3-oxabicyclo[3.1.1]heptane
SMILESCCCC1OCC2CC1C2
InChIInChI=1S/C9H16O/c1-2-3-9-8-4-7(5-8)6-10-9/h7-9H,2-6H2,1H3
InChIKeyDLSGNFZNOGOXKR-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,2-dimethylpropyl)-3-oxabicyclo[3.1.1]heptane
CID 153373885
3,5-dimethyl-2-propyloxane
CID 91467141
3-propyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 23172287
2-propyl-3,6-dioxabicyclo[3.2.1]octan-7-one
CID 122213173
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
(2R,3R)-2-(2-bromoethyl)-3-propyl-1,4-dioxane
CID 97304593
(3S,3aR,6R,6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 59336408
(6aR)-3,6-dipropyl-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 137382626
CID 175475934
CID 175475934
(2S,3S)-2-methyl-3-propyloxirane
CID 22844896
3-fluoro-2-propyloxolane
CID 156747497
3-methyl-2-pentyloxetane
CID 20557182

Frequently Asked Questions

What is the IUPAC name of 2-propyl-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of 2-propyl-3-oxabicyclo[3.1.1]heptane (CID 153373872) is 2-propyl-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for 2-propyl-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for 2-propyl-3-oxabicyclo[3.1.1]heptane is CCCC1OCC2CC1C2.
What is the InChIKey of 2-propyl-3-oxabicyclo[3.1.1]heptane?
The InChIKey is DLSGNFZNOGOXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-2-3-9-8-4-7(5-8)6-10-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-propyl-3-oxabicyclo[3.1.1]heptane?
2-propyl-3-oxabicyclo[3.1.1]heptane has a molecular weight of 140.23 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 153373872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).